SCHEMBL31706644

SCHEMBL31706644

COC(=O)c1cncc(N2CCN(C[C@@H]3CCO3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ USP28 Q96RU2 1/20 0.38
▸ USP25 Q9UHP3 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ PLOD2 O00469 1/20 0.36
▸ PLOD3 O60568 1/20 0.36
▸ PLOD1 Q02809 1/20 0.36

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
SCHEMBL31705568 1.00 BRAF (0.41) BRAFCYP11B1CYP11B2ATMDPP4
SCHEMBL31704987 0.86 BRAF (0.40) BRAFUSP28USP25ALDH1A1NPC1
Lithium Ion SCHEMBL31706826 0.84 BRAF (0.39) BRAFDPP4DPP8DPP9DPP7
Lithium Ion SCHEMBL31706622 0.84 BRAF (0.39) BRAFDPP4DPP8DPP9DPP7
Lithium Ion SCHEMBL31705985 0.84 BRAF (0.39) BRAFDPP4DPP8DPP9DPP7
Lithium Ion SCHEMBL31706760 0.84 BRAF (0.39) BRAFDPP4DPP8DPP9DPP7
SCHEMBL31705614 0.83 ATM (0.41) BRAFCYP11B1CYP11B2ATMDPP4
SCHEMBL664858 0.78 ATM (0.50) CYP11B1CYP11B2ATMALDH1A1KMT2A
SCHEMBL31705087 0.76 TDP1 (0.48) CYP11B1CYP11B2ATMALDH1A1KMT2A
SCHEMBL3939071 0.75 ATM (0.53) CYP11B1CYP11B2ATMALDH1A1KMT2A

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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