SCHEMBL31704818

SCHEMBL31704818

COC(=O)c1cncc(C2=CCN(C(C)=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.51
▸ ATM Q13315 1/20 0.47
▸ NAMPT P43490 4/20 0.46
▸ CYP11B2 P19099 5/20 0.45
▸ CYP2A6 P11509 1/20 0.43
▸ CYP11B1 P15538 3/20 0.43
▸ SUV39H2 Q9H5I1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31704700 0.87 NAMPT (0.48) ATMNAMPTCYP11B2CYP2A6CYP11B1
SCHEMBL31705303 0.86 QDPR (0.53) QDPRNAMPTCYP11B2CYP11B1SUV39H2
SCHEMBL31705879 0.85 CYP11B2 (0.56) ATMNAMPTCYP11B2
SCHEMBL31704658 0.84 NAMPT (0.42) ATMNAMPTCYP11B2CYP2A6CYP11B1
Lithium Ion SCHEMBL31705789 0.84 QDPR (0.51) QDPRNAMPTCYP11B2CYP11B1SUV39H2
Lithium Ion SCHEMBL31706510 0.84 QDPR (0.51) QDPRNAMPTCYP11B2CYP11B1SUV39H2
SCHEMBL13778394 0.82 QDPR (0.57) QDPRNAMPTCYP11B2SUV39H2SYK
SCHEMBL4163298 0.80 QDPR (0.54) QDPRNAMPTCYP11B2SUV39H2SYK
SCHEMBL31706313 0.75 KDM4E (0.54) QDPRNAMPTSUV39H2CCNT1CDK9
SCHEMBL31704650 0.74 ATM (0.48) QDPRATMCYP11B2CYP2A6CYP11B1

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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