SCHEMBL25690688

SCHEMBL25690688

Cc1nc(C(=O)N[C@H]2CC[C@@H](C#N)CC2)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.42
▸ DPP4 P27487 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ PRKAA2 P54646 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CD38 P28907 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP30 Q70CQ3 4/20 0.35

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
SCHEMBL25690439 1.00 PDE7A (0.42) PDE7ADPP4SCN9APRKAA2ALDH1A1
SCHEMBL25690421 0.89 DPP4 (0.45) DPP4ALDH1A1HSD11B1CNR1CHRM4
SCHEMBL25690427 0.89 BRD4 (0.37) PDE7ADPP4SCN9APRKAA2CCNA2
SCHEMBL25690611 0.89 BRD4 (0.37) PDE7ADPP4SCN9APRKAA2CCNA2
SCHEMBL25696643 0.87 PDE7A (0.43) PDE7ADPP4SCN9APRKAA2ALDH1A1
SCHEMBL25696647 0.87 PDE7A (0.43) PDE7ADPP4SCN9APRKAA2ALDH1A1
SCHEMBL25690689 0.84 CD38 (0.48) DPP4CNR1CD38NPC1RAB9A
SCHEMBL25690429 0.81 CNR2 (0.48) DPP4SCN9ACHRM4NPC1RAB9A
SCHEMBL25690440 0.80 CHRNB2 (0.45) PRKAA2ALDH1A1HSD11B1
SCHEMBL25690606 0.78 GRM5 (0.38) DPP4ALDH1A1CCNA2CDK2CDK5

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-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 — — WO disclosed
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