SCHEMBL21170498

SCHEMBL21170498

Cc1ccc(C(C)(C)CNc2ccc(-c3ccc4c(N)n[nH]c4c3)nn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.44
TGFBR1 P36897 11/20 0.44
AURKA O14965 10/20 0.44
AURKB Q96GD4 10/20 0.44
ROCK1 Q13464 6/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
CHUK O15111 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.39
JAK3 P52333 1/20 0.39
MAP3K5 Q99683 1/20 0.39
JAK2 O60674 1/20 0.36

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
SCHEMBL2563474 0.90 PDPK1 (0.43) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL21170312 0.86 ABL1 (0.47) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12287320 0.83 JAK2 (0.41) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12287444 0.79 ABL1 (0.47) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12289987 0.79 JAK2 (0.44) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12287071 0.78 PDPK1 (0.45) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL21170124 0.77 ABL1 (0.37) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12289956 0.74 JAK2 (0.42) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL12287319 0.74 JAK2 (0.39) PDPK1TGFBR1AURKAAURKBROCK1
SCHEMBL2566819 0.73 CDC7 (0.44) PDPK1TGFBR1AURKAAURKBROCK1

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed