SCHEMBL19902565

SCHEMBL19902565

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)c1cnc2cc(N3CCCC3)ccn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
ROCK1 Q13464 3/20 0.43
ROCK2 O75116 3/20 0.43
SIK1 P57059 5/20 0.39
SIK2 Q9H0K1 5/20 0.39
SIK3 Q9Y2K2 5/20 0.39
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
CSF1R P07333 5/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 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
SCHEMBL19902619 0.93 SIK1 (0.47) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902587 0.93 USP30 (0.57) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902560 0.91 USP30 (0.44) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902563 0.91 USP30 (0.45) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902584 0.91 USP30 (0.45) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902588 0.91 CSF1R (0.45) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902394 0.89 SIK1 (0.42) USP30ROCK1ROCK2SIK1SIK2
SCHEMBL19902368 0.88 ROCK1 (0.49) USP30ROCK1ROCK2CSF1RCCNA2
SCHEMBL19902518 0.86 CSF1R (0.46) USP30ROCK1ROCK2CSF1RCCNA2
SCHEMBL19902392 0.86 ROCK1 (0.43) USP30ROCK1ROCK2DYRK1ACSF1R

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