SCHEMBL14520300

SCHEMBL14520300

CCc1cc(Nc2ccnc3[nH]c(C4=CCNCC4)cc23)cc(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.48
▸ CCNT1 O60563 19/20 0.48

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
SCHEMBL5659585 0.85 CCNT1 (0.59) CDK9CCNT1
Hydrochloric Acid SCHEMBL5662437 0.85 CCNT1 (0.58) CDK9CCNT1
SCHEMBL14199808 0.75 CDK9 (0.61) CDK9CCNT1
SCHEMBL5663694 0.73 CDK9 (0.68) CDK9CCNT1
Hydrochloric Acid SCHEMBL5662221 0.72 CDK9 (0.67) CDK9CCNT1
SCHEMBL14500226 0.71 CDK9 (0.48) CDK9CCNT1
SCHEMBL14500600 0.71 CDK9 (0.46) CDK9CCNT1
Hydrochloric Acid SCHEMBL5661887 0.70 CDK9 (0.46) CDK9CCNT1
Hydrochloric Acid SCHEMBL5660244 0.70 CDK9 (0.48) CDK9CCNT1
SCHEMBL5662088 0.70 CCNT1 (0.62) CDK9CCNT1

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
Send feedback