SCHEMBL14520510

SCHEMBL14520510

Bc1cnc2[nH]c(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 11/20 0.48
▸ CCNT1 O60563 9/20 0.48
▸ TBK1 Q9UHD2 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ CNR1 P21554 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39

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
SCHEMBL14500619 0.93 CDK9 (0.48) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL13994232 0.90 TBK1 (0.51) CDK9CCNT1TBK1JAK1PRKCQ
SCHEMBL14520516 0.90 CDK9 (0.48) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL5001675 0.86 CCNT1 (0.49) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL5001788 0.82 CDK9 (0.48) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL14530722 0.82 EGFR (0.39) CDK9CCNT1PRKCQ
SCHEMBL14520514 0.82 CCNT1 (0.43) CDK9CCNT1PRKCQ
SCHEMBL14500618 0.81 CCNT1 (0.40) CDK9CCNT1PRKCQ
SCHEMBL5005478 0.81 TBK1 (0.51) CDK9CCNT1TBK1JAK1PRKCQ
SCHEMBL14531051 0.78 CCNT1 (0.40) CDK9CCNT1PRKCQ

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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