SCHEMBL14440418

SCHEMBL14440418

O=C1NC(=O)c2c1c1c3cc(O)ccc3[nH]c1c1c2c2cc(O)ccc2n1C1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.63
ROCK2 O75116 5/20 0.55
CHEK1 O14757 4/20 0.53
SRC P12931 1/20 0.53
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
WEE1 P30291 2/20 0.47
PRKCQ Q04759 1/20 0.45
PRKCA P17252 1/20 0.45
MAP3K5 Q99683 1/20 0.45

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
SCHEMBL8353620 0.94 TOP1 (0.56) TOP1ROCK2CHEK1SRCGSK3A
SCHEMBL14440450 0.94 TOP1 (0.56) TOP1ROCK2CHEK1SRCGSK3A
SCHEMBL14440376 0.94 TOP1 (0.56) TOP1ROCK2CHEK1GSK3AGSK3B
SCHEMBL14440435 0.90 TOP1 (0.63) TOP1ROCK2PRKCQ
SCHEMBL8352252 0.84 CDK4 (0.55) TOP1ROCK2CDK5CDK5R1PRKCQ
SCHEMBL14440442 0.84 CDK4 (0.55) TOP1ROCK2CDK5CDK5R1PRKCQ
SCHEMBL8354746 0.84 CDK4 (0.55) TOP1ROCK2CDK5CDK5R1PRKCQ
SCHEMBL8352405 0.83 PRKCQ (0.63) ROCK2CHEK1CDK5CDK5R1PRKCQ
SCHEMBL8350893 0.83 PRKCQ (0.63) ROCK2CHEK1CDK5CDK5R1PRKCQ
SCHEMBL8352230 0.82 PRKCQ (0.62) ROCK2CHEK1CDK5CDK5R1PRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262215-B2 N-carbacycle monosubstituted indolocarbazoles as protein kinase inhibitors NAD AG (DE) 2007-08-28 US disclosed
US-7262215-B2 N-carbacycle monosubstituted indolocarbazoles as protein kinase inhibitors NAD AG (DE) 2007-08-28 US disclosed