SCHEMBL31078701

SCHEMBL31078701

CCc1sc2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ PTPN1 P18031 3/20 0.45
▸ GPR3 P46089 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ MAPT P10636 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 5/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ GAA P10253 2/20 0.43

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
SCHEMBL11205839 0.80 PTPN1 (0.57) CNR2CNR1KDM4ELMNACASP1
SCHEMBL14045624 0.78 CNR2 (0.46) CNR2CNR1KDM4EPTPN1GPR3
SCHEMBL2388976 0.78 CNR2 (0.46) CNR2CNR1KDM4EPTPN1GPR3
SCHEMBL11381301 0.77 MEN1 (0.46) CNR2KDM4ELMNACASP1PTPN1
SCHEMBL11959206 0.76 LOXL2 (0.69) CNR2CNR1KDM4EGPR3LOXL2
SCHEMBL22810223 0.76 CNR2 (0.45) CNR2CNR1KDM4EPTPN1GPR3
SCHEMBL13352406 0.76 CNR2 (0.45) CNR2CNR1KDM4ELMNACASP1
SCHEMBL11189813 0.76 MAPT (0.47) KDM4ELMNALOXL2MAPTRAB9A
SCHEMBL10274323 0.73 CNR2 (0.43) CNR2CNR1KDM4EPTPN1GPR3
SCHEMBL11321079 0.73 NPY1R (0.49) CNR2CNR1LMNAPTPN1GPR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 — — EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 — — WO disclosed
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