SCHEMBL31369209

SCHEMBL31369209

CNC(c1ccc(Br)cn1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.35
S1PR3 Q99500 4/20 0.35
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 1/20 0.33
FDPS P14324 1/20 0.32
IDH1 O75874 2/20 0.31
KDM4E B2RXH2 1/20 0.31
S1PR2 O95136 2/20 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
SCHEMBL15240312 1.00 S1PR4 (0.35) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL26650065 1.00 S1PR4 (0.35) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL31391923 1.00 S1PR4 (0.35) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL26650250 0.82 GBA1 (0.37) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL26650249 0.82 GBA1 (0.37) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL31580571 0.82 TAAR1 (0.33) S1PR4S1PR3GBA1
SCHEMBL31581711 0.79 PTGS1 (0.34) KDM4E
SCHEMBL30205558 0.79 ALDH1A1 (0.36) S1PR4S1PR3ALDH1A1ATML3MBTL1
SCHEMBL31391945 0.79 ALDH1A1 (0.36) S1PR4S1PR3ALDH1A1ATML3MBTL1
Hydrochloric Acid SCHEMBL31580455 0.78 GBA1 (0.32) GBA1

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-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed