SCHEMBL27059762

SCHEMBL27059762

c1cc(C2CCCNCC2)c2nc(C3CCOCC3)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.42
▸ CDK9 P50750 5/20 0.38
▸ CCNT1 O60563 4/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ PBK Q96KB5 3/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL30769686 1.00 PARP1 (0.42) PARP1CDK9CCNT1IRAK4PBK
SCHEMBL27035418 0.95 CDK9 (0.38) PARP1CDK9CCNT1IRAK4PBK
SCHEMBL29845331 0.95 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK
SCHEMBL29845323 0.95 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK
SCHEMBL24683415 0.95 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK
Hydrochloric Acid SCHEMBL30769944 0.94 CDK9 (0.38) PARP1CDK9CCNT1IRAK4PBK
Hydrochloric Acid SCHEMBL30769956 0.94 CDK9 (0.38) PARP1CDK9CCNT1IRAK4PBK
Hydrochloric Acid SCHEMBL30769827 0.94 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK
Hydrochloric Acid SCHEMBL27147682 0.94 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK
Hydrochloric Acid SCHEMBL27035376 0.94 CDK9 (0.40) PARP1CDK9CCNT1IRAK4PBK

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-2024017977-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-01-25 — — WO disclosed
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