SCHEMBL27059758

SCHEMBL27059758

CN1CCCC(c2ccnc3[nH]c(C4CCOCC4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 8/20 0.41
▸ CDK9 P50750 8/20 0.41
▸ PARP1 P09874 3/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PBK Q96KB5 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HTR1D P28221 3/20 0.34
▸ HTR1B P28222 3/20 0.34
▸ HTR1F P30939 3/20 0.34
▸ ATR Q13535 2/20 0.34
▸ ATRIP Q8WXE1 2/20 0.34
▸ HTR1A P08908 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
SCHEMBL27059126 0.96 CCNT1 (0.43) CCNT1CDK9PARP1IRAK4HTR2A
SCHEMBL27059765 0.85 IRAK4 (0.34) CCNT1CDK9PARP1IRAK4HTR2B
SCHEMBL30769742 0.85 IRAK4 (0.34) CCNT1CDK9PARP1IRAK4HTR2B
SCHEMBL27059825 0.84 CHEK1 (0.35) CCNT1CDK9PARP1IRAK4PBK
SCHEMBL30769931 0.83 PARP1 (0.41) CCNT1CDK9PARP1HTR2AHTR2B
SCHEMBL27035288 0.83 PARP1 (0.41) CCNT1CDK9PARP1HTR2AHTR2B
SCHEMBL27058302 0.83 PARP1 (0.44) CCNT1CDK9PARP1HTR2AHTR6
SCHEMBL30769520 0.81 IRAK4 (0.36) CCNT1CDK9IRAK4HTR2BATR
SCHEMBL30769686 0.81 PARP1 (0.42) CCNT1CDK9PARP1IRAK4PBK
SCHEMBL30769916 0.81 PARP1 (0.40) CCNT1CDK9PARP1HTR2AHTR2B

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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