SCHEMBL31746936

SCHEMBL31746936

O=C(Cn1ccc2cccc(Nc3cnc4[nH]ncc4c3)c2c1=O)Nc1cncc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
NAMPT P43490 2/20 0.36
GRIN2B Q13224 1/20 0.35
FSCN1 Q16658 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL25073832 1.00 TAS2R14 (0.40) TAS2R14MAPTLMNATP53THRB
SCHEMBL25073828 0.92 RXFP1 (0.47) MAPTLMNATP53THRBRXFP1
SCHEMBL31746957 0.86 RXFP1 (0.41) TAS2R14MAPTLMNATP53THRB
SCHEMBL25073881 0.86 RXFP1 (0.41) TAS2R14MAPTLMNATP53THRB
SCHEMBL25073770 0.85 NLRP3 (0.41) MAPTLMNATP53THRBRXFP1
SCHEMBL31746937 0.85 NLRP3 (0.41) MAPTLMNATP53THRBRXFP1
SCHEMBL25073833 0.84 NLRP3 (0.38) MAPTLMNATP53THRBPOLB
SCHEMBL25073633 0.84 GRIN2B (0.43) MALT1GRIN2B
SCHEMBL25073911 0.84 DDR1 (0.43)
SCHEMBL25073867 0.82 POLB (0.54) MAPTLMNATP53THRBRXFP1

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
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed