SCHEMBL14498682

SCHEMBL14498682

O=C1NCc2c1c1c3cc(F)ccc3n([C@@H]3O[C@H](CO)C(F)[C@H](O)[C@H]3O)c1c1[nH]c3ccc(F)cc3c21

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 13/20 0.78
PRKCA P17252 4/20 0.61
ROCK2 O75116 3/20 0.57
PRKCQ Q04759 1/20 0.48
MAP3K5 Q99683 1/20 0.47

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
SCHEMBL7029359 1.00 TOP1 (0.78) TOP1PRKCAROCK2PRKCQMAP3K5
SCHEMBL14498680 0.97 TOP1 (0.78) TOP1PRKCAROCK2
SCHEMBL14498681 0.88 TOP1 (1.00) TOP1PRKCA
SCHEMBL7022916 0.88 TOP1 (1.00) TOP1PRKCA
SCHEMBL29489909 0.81 TOP1 (1.00) TOP1PRKCAPRKCQ
SCHEMBL6727359 0.81 TOP1 (1.00) TOP1PRKCAPRKCQ
SCHEMBL5664777 0.76 TOP1 (1.00) TOP1PRKCA
SCHEMBL5664034 0.76 TOP1 (1.00) TOP1PRKCAPRKCQ
SCHEMBL5666540 0.74 TOP1 (0.75) TOP1PRKCAPRKCQ
SCHEMBL7025632 0.74 TOP1 (0.75) TOP1PRKCAPRKCQ

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-7227019-B2 Process for the preparation of rebeccamycin and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
US-7227019-B2 Process for the preparation of rebeccamycin and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed