SCHEMBL17907243

SCHEMBL17907243

O=c1cc(N2CCOCC2)c(-c2cccc3c2Sc2ccc(NC4CCCN(Cc5ccncc5)C4)cc2S3)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.43
ROCK1 Q13464 6/20 0.42
PARP14 Q460N5 1/20 0.39
ATM Q13315 2/20 0.39
KAT2B Q92831 1/20 0.39
CCR2 P41597 4/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL17820182 0.85 ROCK2 (0.46) ROCK2ROCK1PARP14ATMCCR2
SCHEMBL17907015 0.78 ROCK2 (0.46) ROCK2ROCK1PARP14ATMCCR2
SCHEMBL17819472 0.77 ATM (0.46) ROCK2ROCK1PARP14ATMCCR2
SCHEMBL17820848 0.75 ROCK2 (0.45) ROCK2ROCK1PARP14ATMKAT2B
SCHEMBL17819940 0.74 ATM (0.42) ROCK2ROCK1ATMCCR2PIK3CA
SCHEMBL17819675 0.72 ATM (0.43) ROCK2ROCK1ATMCCR2PIK3CA
SCHEMBL17819690 0.71 ATM (0.48) ROCK2ATMKAT2BPIK3CA
SCHEMBL17906787 0.70 ATM (0.45) ROCK2ATMPIK3CA
SCHEMBL17907171 0.70 PRKDC (0.39) ATMPIK3CA
SCHEMBL17820572 0.70 ATM (0.43) ROCK2ROCK1PARP14ATMCCR2

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-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed