SCHEMBL30000151

SCHEMBL30000151

COc1ccc(CNc2ncc(C(F)(F)F)c(C)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
USP1 O94782 2/20 0.47
WDR48 Q8TAF3 2/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MAP2K4 P45985 1/20 0.44
EGFR P00533 1/20 0.43
POLB P06746 1/20 0.43
NR2F2 P24468 1/20 0.43
VNN1 O95497 1/20 0.43
THRB P10828 1/20 0.43
FABP4 P15090 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL26697704 0.82 VNN1 (0.46) MAPTMAP2K4EGFRPOLBNR2F2
SCHEMBL29936014 0.82 VNN1 (0.46) MAPTMAP2K4EGFRPOLBNR2F2
SCHEMBL31240859 0.76 NPC1 (0.48) PTK2USP1WDR48MAPTTP53
SCHEMBL27088827 0.76 MAPT (0.45) PTK2USP1WDR48MAPTTP53
SCHEMBL312225 0.75 NPC1 (0.58) PTK2USP1WDR48MAPTTP53
SCHEMBL15538052 0.75 USP1 (0.53) PTK2USP1WDR48MAPTTP53
SCHEMBL30873414 0.75 LMNA (0.40) MAPT
SCHEMBL7170316 0.73 APP (0.50) MAPTMAP2K4EGFRPOLBNR2F2
SCHEMBL25804769 0.72 PTK2 (0.49) PTK2USP1WDR48MAPTTP53
SCHEMBL17011498 0.71 MAPT (0.47) MAPTMAP2K4EGFRPOLBNR2F2

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
WO-2025049274-A2 TETRACYCLIC DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed