SCHEMBL5761986

SCHEMBL5761986

Cc1cccc2c1N(c1ccnc(Nc3ccc(Cl)c(Cl)c3)n1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
FFAR1 O14842 7/20 0.42
FFAR4 Q5NUL3 6/20 0.42
SCN9A Q15858 2/20 0.40
CCR2 P41597 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
BRD4 O60885 1/20 0.38
SLC2A1 P11166 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL5759742 0.86 SCN9A (0.42) CDK4CDK2GSK3BFFAR1FFAR4
SCHEMBL5760461 0.85 ROCK1 (0.40) CDK2AURKAKDRPIK3CAPIK3CB
SCHEMBL5757754 0.84 PTK2 (0.47) CDK4CDK2GSK3BAURKAAURKB
SCHEMBL5758741 0.83 L3MBTL1 (0.52) CDK2NPC1RAB9AAURKBKDR
SCHEMBL5760681 0.82 KDR (0.48) CDK4CDK2GSK3BFFAR1FFAR4
SCHEMBL5760336 0.82 AURKA (0.45) FFAR1FFAR4AURKAAURKBJAK2
SCHEMBL5760444 0.81 SYK (0.42) AURKAJAK2JAK3
SCHEMBL5758924 0.81 IDH1 (0.52) SCN9AKDR
SCHEMBL5759805 0.80 CDK2 (0.41) CDK4CDK2GSK3BNPC1KDR
SCHEMBL5760237 0.80 PTK2 (0.58) GSK3BAURKAAURKBKDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed