SCHEMBL30994117

SCHEMBL30994117

COCOc1cc(C(F)(F)F)cc(C)c1-c1cc2c(ccn2C(=O)OC(C)(C)C)nn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 6/20 0.35
▸ ENPP2 Q13822 1/20 0.33
▸ EGFR P00533 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ MAP2K4 P45985 1/20 0.31
▸ TACR1 P25103 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30973438 0.80 BRD4 (0.33) EGFRPIK3CDABL1HCKSRC
SCHEMBL30994275 0.74 JAK3 (0.34) IL1BTACR1
SCHEMBL30994055 0.73 TACR1 (0.37) ENPP2EGFRABL1SRCKDR
SCHEMBL30994234 0.73 ENPP2 (0.34) IL1BENPP2TACR1
SCHEMBL30994357 0.72 WDR5 (0.35) ENPP2
SCHEMBL30994247 0.72 IL1B (0.35) IL1B
SCHEMBL25405133 0.71 MEN1 (0.39) IL1BTACR1ALDH1A1
SCHEMBL30561913 0.70 IL1B (0.39) IL1BTACR1
SCHEMBL25405533 0.70 IL1B (0.39) IL1BTACR1
SCHEMBL30994253 0.69 IL1B (0.43) IL1B

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-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 — — EP disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 — — WO disclosed
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