SCHEMBL14520514

SCHEMBL14520514

CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)c(Br)cnc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.43
▸ CDK9 P50750 17/20 0.43
▸ PRKCQ Q04759 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ SYK P43405 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
SCHEMBL14531051 0.91 CCNT1 (0.40) CCNT1CDK9PRKCQEGFR
SCHEMBL14530722 0.90 EGFR (0.39) CCNT1CDK9PRKCQEGFR
SCHEMBL14500618 0.90 CCNT1 (0.40) CCNT1CDK9PRKCQ
SCHEMBL14500619 0.89 CDK9 (0.48) CCNT1CDK9PRKCQ
SCHEMBL14500614 0.82 CCNT1 (0.47) CCNT1CDK9
SCHEMBL14520510 0.82 CDK9 (0.48) CCNT1CDK9PRKCQ
SCHEMBL14530589 0.80 CCNT1 (0.40) CCNT1CDK9EGFR
SCHEMBL14530588 0.80 EGFR (0.39) CCNT1CDK9EGFR
SCHEMBL14500616 0.79 CCNT1 (0.40) CCNT1CDK9
SCHEMBL13994232 0.79 TBK1 (0.51) CCNT1CDK9PRKCQ

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
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
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