SCHEMBL31706327

SCHEMBL31706327

CC1(N2CCN(c3ccnc(C(=O)O)n3)CC2)CC1.COC(=O)c1nccc(N2CCN(C3(C)CC3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HRH4 Q9H3N8 6/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.38
▸ SORD Q00796 3/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ KDM3A Q9Y4C1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP3A4 P08684 1/20 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
SCHEMBL31706076 0.95 ROCK2 (0.41) ROCK2KMT2ANPC1RAB9AHRH4
SCHEMBL31705707 0.92 SORD (0.42) HRH4HRH3SORDPTGER4KMO
SCHEMBL27457779 0.79 ROCK2 (0.44) ROCK2HRH4HRH3SORDPTGER4
SCHEMBL31706338 0.76 HRH3 (0.52) KMT2AHRH4HRH3SORDKDM4E
SCHEMBL31706298 0.76 HRH3 (0.52) KMT2AHRH4HRH3SORDKDM4E
SCHEMBL31704767 0.75 CKS1B (0.49) KMT2ANPC1RAB9AHRH4HRH3
SCHEMBL31705275 0.74 CKS1B (0.48) NPC1RAB9ATRPV1KDM4EALDH1A1
SCHEMBL31705550 0.74 CKS1B (0.48) NPC1RAB9ATRPV1KDM4EALDH1A1
SCHEMBL21880062 0.74 KMO (0.53) HRH4HRH3SORDALDH1A1KMO
SCHEMBL27457780 0.73 PTGER4 (0.45) ROCK2HRH4HRH3SORDPTGER4

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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