SCHEMBL19902599

SCHEMBL19902599

O=C(N[C@H]1CCC[C@H](c2n[nH]c(=O)c3ccccc23)CC1)c1cnc2cc(OC(F)F)ccn12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 10/20 0.40
ROCK1 Q13464 4/20 0.40
ROCK2 O75116 4/20 0.39
SIK1 P57059 3/20 0.39
SIK2 Q9H0K1 3/20 0.39
SIK3 Q9Y2K2 3/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
KIT P10721 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
SCHEMBL19902598 0.97 CSF1R (0.42) CSF1RROCK1ROCK2SIK1SIK2
SCHEMBL19902652 0.89 CSF1R (0.43) CSF1RROCK1ROCK2SIK1SIK2
SCHEMBL19902410 0.89 ROCK1 (0.45) CSF1RROCK1ROCK2CCNA2CDK2
SCHEMBL19902434 0.88 CSF1R (0.42) CSF1RROCK1ROCK2CCNA2CDK2
SCHEMBL19902591 0.88 CSF1R (0.46) CSF1RROCK1ROCK2CCNA2CDK2
SCHEMBL17452905 0.87 ROCK2 (0.51) CSF1RROCK1ROCK2SIK1SIK2
SCHEMBL19902518 0.85 CSF1R (0.46) CSF1RROCK1ROCK2CCNA2CDK2
SCHEMBL19902368 0.85 ROCK1 (0.49) CSF1RROCK1ROCK2CCNA2CDK2
SCHEMBL19902477 0.85 CSF1R (0.52) CSF1RROCK1ROCK2
SCHEMBL19902493 0.85 CSF1R (0.45) CSF1RROCK1ROCK2

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
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed