SCHEMBL14021295

SCHEMBL14021295

O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCN(CCOCCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AIMP2 Q13155 1/20 0.52
▸ NAMPT P43490 4/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ KCNA5 P22460 3/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ IKBKB O14920 2/20 0.45
▸ CHUK O15111 1/20 0.45
▸ MAPKAPK2 P49137 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
SCHEMBL3056212 0.91 AIMP2 (0.54) AIMP2MEN1KMT2APIK3CAPIK3CB
SCHEMBL3049760 0.91 SYK (0.51) AIMP2PIK3CAPIK3CBPIK3CGSYK
SCHEMBL14021270 0.88 DRD2 (0.54) AIMP2PIK3CAPIK3CBPIK3CGSYK
SCHEMBL14021310 0.88 SYK (0.53) AIMP2PIK3CAPIK3CBPIK3CGSYK
SCHEMBL14021629 0.87 JAK2 (0.54) AIMP2PIK3CAPIK3CBPIK3CGJAK2
SCHEMBL13590773 0.86 PIK3CA (0.47) AIMP2PIK3CAPIK3CBPIK3CGDRD2
SCHEMBL14021308 0.85 JAK2 (0.55) SYKJAK2JAK3CDK2
SCHEMBL8311018 0.85 JAK2 (0.61) AIMP2PIK3CAPIK3CBPIK3CGSYK
SCHEMBL14021298 0.84 SYK (0.52) AIMP2PIK3CAPIK3CBPIK3CGSYK
SCHEMBL14021306 0.84 SYK (0.54) AIMP2PIK3CAPIK3CBPIK3CGSYK

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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