SCHEMBL31704530

SCHEMBL31704530

COC(=O)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.74
MAPK13 O15264 1/20 0.57
PIK3CB P42338 1/20 0.54
HRH3 Q9Y5N1 2/20 0.54
KDM4E B2RXH2 1/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
RAB9A P51151 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 2/20 0.49
JMJD6 Q6NYC1 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MGLL Q99685 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1516978 1.00 PIK3CA (0.74) PIK3CAMAPK13PIK3CBHRH3KDM4E
SCHEMBL3750019 0.86 HRH3 (0.57) PIK3CAHRH3KDM4EKDM6BKDM5C
SCHEMBL4725584 0.85 PIK3CA (0.70) PIK3CAMAPK13KDM4ERAB9AALDH1A1
SCHEMBL19672049 0.85 PIK3CA (0.56) PIK3CAMAPK13PIK3CBHRH3KDM4E
SCHEMBL12639899 0.84 PIK3CA (0.76) PIK3CAMAPK13KDM4ERAB9AALDH1A1
SCHEMBL2028882 0.84 PIK3CA (0.57) PIK3CAHRH3KDM4EKDM6BKDM5C
SCHEMBL5929302 0.84 PIK3CA (0.54) PIK3CAMAPK13HRH3KDM4EKDM6B
SCHEMBL17843238 0.83 HRH3 (0.54) PIK3CAHRH3KDM4EKDM6BKDM5C
SCHEMBL1021177 0.83 HRH3 (0.54) PIK3CAHRH3KDM4EKDM6BKDM5C
SCHEMBL13702422 0.83 PIK3CA (0.70) PIK3CAMAPK13ADORA2AADORA1MAPK14

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