SCHEMBL30673247

SCHEMBL30673247

COc1c(F)cc(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.50
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRKDC P78527 1/20 0.43
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MCL1 Q07820 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TUBB1 Q9H4B7 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
SCHEMBL4599553 1.00 ERN1 (0.50) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL30903833 0.82 ALDH1A1 (0.45) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1186103 0.81 ERN1 (0.52) ERN1ALDH1A1PRKDCKDM4ETSHR
SCHEMBL1071145 0.81 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL29951095 0.81 ERN1 (0.52) ERN1ALDH1A1PRKDCKDM4ETSHR
SCHEMBL16595970 0.81 ERN1 (0.39) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL22216884 0.81 LMNA (0.47) ERN1ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL10986 0.80 CA2 (0.41) TDP1CA2HSD17B10KMT2ATUBB1
SCHEMBL22216903 0.79 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL127848 0.79 ERN1 (0.66) ERN1ALDH1A1CYP1A2CYP2C19PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2024254537-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 WO disclosed