SCHEMBL3793644

SCHEMBL3793644

Nc1ncc(-c2cccc(C(=O)NC(=O)C3CCNCC3)c2)cc1-c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2748849 0.85 CDK8 (0.50) CDK1CDK2MKNK1MKNK2TP53
SCHEMBL2747422 0.81 MAP4K4 (0.58) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL2750391 0.80 MAP4K4 (0.42) CDK1CDK2MKNK1MKNK2TP53
SCHEMBL2750253 0.80 FYN (0.54) FGFR1FGFR3CDK1CDK2MKNK1
SCHEMBL2749406 0.79 ATR (0.58) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL2747417 0.79 CDK8 (0.49) CDK1CDK2MKNK1MKNK2TP53
SCHEMBL2749016 0.78 FYN (0.51) CDK1CDK2MKNK1MKNK2TP53
SCHEMBL2749692 0.77 FYN (0.45) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL2749695 0.77 FYN (0.45) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL2750442 0.77 ATR (0.55) TP53ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed