SCHEMBL14021305

SCHEMBL14021305

CN(C)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4nccc(-c5ccc(Cl)cc5)n4)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KDR P35968 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ JAK2 O60674 5/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ JAK3 P52333 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ IKBKB O14920 3/20 0.46
▸ CHUK O15111 2/20 0.46
▸ MAPKAPK2 P49137 1/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45

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
SCHEMBL8312590 0.86 CDK1 (0.51) KDRAURKAJAK2JAK3CDK1
SCHEMBL1512786 0.84 PIK3CA (0.55) AURKAJAK2PIK3CAPIK3CBPIK3CG
SCHEMBL8312148 0.84 CDK1 (0.62) JAK2PIK3CAPIK3CBPIK3CGJAK3
SCHEMBL14021041 0.84 ABL1 (0.57) KDM4EMAPTJAK2PIK3CAPIK3CB
SCHEMBL14021407 0.84 JAK2 (0.51) JAK2PIK3CAPIK3CBPIK3CGJAK3
SCHEMBL14063828 0.83 CAMK2D (0.61) JAK2PIK3CAPIK3CBPIK3CGJAK3
SCHEMBL14021219 0.83 PIK3CA (0.58) JAK2PIK3CAPIK3CBPIK3CGJAK3
SCHEMBL14063837 0.83 CDK2 (0.52) JAK2PIK3CAPIK3CBPIK3CGJAK3
SCHEMBL8312431 0.83 RHOC (0.52) CNR2KDM4EMAPTCNR1PIK3CA
SCHEMBL8312575 0.82 JAK2 (0.49) JAK2PIK3CAPIK3CBPIK3CGJAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
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