SCHEMBL3660322

SCHEMBL3660322

O=CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 4/20 0.49
▸ IKBKB O14920 3/20 0.48
▸ CHUK O15111 2/20 0.48
▸ CAMK2D Q13557 3/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ NCOR1 O75376 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ LSS P48449 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8308779 0.92 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL8311018 0.89 JAK2 (0.61) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL3049760 0.88 SYK (0.51) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL14021629 0.88 JAK2 (0.54) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL4392408 0.88 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL14021222 0.87 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL14021327 0.87 JAK2 (0.49) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL13590765 0.87 JAK2 (0.51) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL14063782 0.87 JAK2 (0.52) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL14063828 0.86 CAMK2D (0.61) PIK3CAPIK3CBPIK3CGJAK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157975-A2 TREATMENT FOR NON-ALCOHOLIC-STEATOHEPATITIS Ares Trading S.A. (CH) 2010-03-03 — — EP claimed
EP-1931322-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS Laboratoires Serono SA (CH) 2008-06-18 — — EP claimed
WO-2008040548-A2 TREATMENT FOR NON-ALCOHOLIC-STEATOHEPATITIS ARES TRADING S.A. (CH) 2008-04-10 — — WO claimed
WO-2007030362-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO SA. (CH) 2007-03-15 — — WO claimed
EP-2157975-A2 TREATMENT FOR NON-ALCOHOLIC-STEATOHEPATITIS Ares Trading S.A. (CH) 2010-03-03 — — EP disclosed
EP-2139482-A1 TREATMENT FOR MULTIPLE MYELOMA Ares Trading S.A. (CH) 2010-01-06 — — EP disclosed
EP-2037897-A2 AN ORAL PHARMACEUTICAL COMPOSITION OF AN ANILINOPYRIMIDINE, ITS PREPARATION AND USE THEREOF Ares Trading S.A. (CH) 2009-03-25 — — EP disclosed
EP-1931322-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS Laboratoires Serono SA (CH) 2008-06-18 — — EP disclosed
WO-2008064866-A1 TREATMENT FOR MULTIPLE MYELOMA ARES TRADING S.A. (CH) 2008-06-05 — — WO disclosed
WO-2008040548-A2 TREATMENT FOR NON-ALCOHOLIC-STEATOHEPATITIS ARES TRADING S.A. (CH) 2008-04-10 — — WO disclosed
WO-2008003769-A2 AN ORAL PHARMACEUTICAL COMPOSITION OF AN ANILINOPYRIMIDINE, ITS PREPARATION AND USE THEREOF ARES TRADING S.A. (CH) 2008-01-10 — — WO disclosed
EP-1827422-A2 JNK INHIBITORS FOR THE TREATMENT OF CNS INJURY CELGENE CORPORATION (US) 2007-09-05 — — EP disclosed
WO-2007030362-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO SA. (CH) 2007-03-15 — — WO disclosed
WO-2006058007-A2 JNK INHIBITORS FOR TREATMENT OF CNS INJURY CELGENE CORPORATION (US) 2006-06-01 — — WO disclosed
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