SCHEMBL31704866

SCHEMBL31704866

COC(=O)c1cc(C2=CCN(C(=O)C3CC3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ KIT P10721 2/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ QDPR P09417 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL31704732 0.90 CCNT1 (0.44) NAMPTALDH1A1SMN1; SMN2QDPRCCNT1
Lithium Ion SCHEMBL31705308 0.84 ALDH1A1 (0.46) NAMPTALDH1A1JAK1SMN1; SMN2JAK2
SCHEMBL31704953 0.81 NAMPT (0.52) NAMPTJAK1CCNT1CDK9
SCHEMBL31706191 0.81 NAMPT (0.47) NAMPTALDH1A1JAK1SMN1; SMN2JAK2
SCHEMBL31704895 0.81 NAMPT (0.47) NAMPTALDH1A1JAK1SMN1; SMN2JAK2
SCHEMBL31704700 0.79 NAMPT (0.48) NAMPTALDH1A1JAK1JAK2TYK2
SCHEMBL31705531 0.77 CCNT1 (0.38) ALDH1A1SMN1; SMN2CCNT1CDK9
SCHEMBL31706435 0.76 ALDH1A1 (0.48) NAMPTALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL31705266 0.75 TLR8 (0.48) ALDH1A1QDPR
SCHEMBL31704981 0.74 TDP1 (0.49) ALDH1A1MAPK1

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
Send feedback