SCHEMBL14021027

SCHEMBL14021027

O=C(Nc1ccncc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.67
NT5E P21589 1/20 0.61
KMT2A Q03164 1/20 0.61
ABL1 P00519 3/20 0.61
BCR P11274 3/20 0.61
PDGFRB P09619 2/20 0.61
PDGFRA P16234 2/20 0.61
PIK3CA P42336 2/20 0.59
PIK3CB P42338 2/20 0.59
PIK3CG P48736 2/20 0.59
MAPK1 P28482 1/20 0.58
IKBKB O14920 1/20 0.57
SRC P12931 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCD Q05655 1/20 0.56
JAK2 O60674 2/20 0.56
JAK3 P52333 1/20 0.55
HDAC1 Q13547 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53

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
SCHEMBL4905540 0.97 ABL1 (0.62) CAMK2DNT5EKMT2AABL1BCR
SCHEMBL14021028 0.95 PIK3CA (0.64) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL14021033 0.91 AURKA (0.62) CAMK2DKMT2AABL1BCRPDGFRB
SCHEMBL14021038 0.91 CAMK2D (0.71) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL14021032 0.90 PDGFRA (0.62) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL13911480 0.90 CAMK2D (0.68) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL14021025 0.88 PDGFRA (0.58) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL4905733 0.88 PDGFRA (0.77) KMT2AABL1BCRPDGFRBPDGFRA
SCHEMBL14021041 0.87 ABL1 (0.57) CAMK2DABL1BCRPDGFRBPDGFRA
SCHEMBL9519 0.86 ABL1 (0.74) CAMK2DABL1BCRPDGFRBPDGFRA

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