SCHEMBL30405473

SCHEMBL30405473

Cc1ccc(N)cc1-c1cc(F)nc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.45
S1PR1 P21453 1/20 0.42
CYP3A4 P08684 1/20 0.42
ABL1 P00519 2/20 0.39
ALDH1A1 P00352 3/20 0.37
CASP1 P29466 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
AGPAT2 O15120 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
RAF1 P04049 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
RECQL P46063 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 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
SCHEMBL25261605 1.00 PLA2G7 (0.45) PLA2G7S1PR1CYP3A4ABL1ALDH1A1
SCHEMBL31312426 0.89 PLA2G7 (0.51) PLA2G7S1PR1CYP3A4ABL1ALDH1A1
SCHEMBL17595012 0.89 PLA2G7 (0.51) PLA2G7S1PR1CYP3A4ABL1ALDH1A1
SCHEMBL16094239 0.89 ALDH1A1 (0.43) PLA2G7CYP3A4ABL1ALDH1A1CASP1
SCHEMBL25698931 0.84 CYP3A4 (0.39) PLA2G7S1PR1CYP3A4ALDH1A1ADORA2A
SCHEMBL25593205 0.84 MAP4K4 (0.42) S1PR1CYP3A4ALDH1A1ADORA2AADORA1
SCHEMBL31636298 0.84 PLA2G7 (0.47) PLA2G7S1PR1CYP3A4ALDH1A1CASP1
SCHEMBL25699188 0.84 PLA2G7 (0.47) PLA2G7S1PR1CYP3A4ALDH1A1CASP1
SCHEMBL25593143 0.78 ABL1 (0.39) S1PR1ABL1ADORA2AADORA1ADORA3
SCHEMBL25593067 0.78 S1PR1 (0.37) S1PR1ABL1ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604491-A RAF kinase inhibitors and methods of use thereof 德西费拉制药有限责任公司 2025-03-11 CN disclosed
CN-119585242-A RAF kinase inhibitors and methods of use thereof 德西费拉制药有限责任公司 2025-03-07 CN disclosed
EP-4444429-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2024-10-16 EP disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed