SCHEMBL14021041

SCHEMBL14021041

CN(C)c1ccc(NC(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.57
▸ BCR P11274 2/20 0.57
▸ PDGFRA P16234 2/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ JAK2 O60674 5/20 0.55
▸ PIK3CA P42336 2/20 0.55
▸ PIK3CB P42338 2/20 0.55
▸ PIK3CG P48736 2/20 0.55
▸ CAMK2D Q13557 4/20 0.54
▸ JAK3 P52333 1/20 0.54
▸ IKBKB O14920 2/20 0.53
▸ MAPK8 P45983 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL14021028 0.91 PIK3CA (0.64) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021176 0.90 ABL1 (0.55) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021032 0.88 PDGFRA (0.62) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021033 0.87 AURKA (0.62) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021027 0.87 CAMK2D (0.67) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021038 0.87 CAMK2D (0.71) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021025 0.86 PDGFRA (0.58) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL4905540 0.86 ABL1 (0.62) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021026 0.84 PDGFRB (0.63) ABL1BCRPDGFRAPDGFRBJAK2
SCHEMBL14021305 0.84 CNR2 (0.51) ABL1BCRJAK2PIK3CAPIK3CB

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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