SCHEMBL22538245

SCHEMBL22538245

CNc1cc(-c2cc3cnc(NC(C)=O)cc3n(C(C)C)c2=O)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
PDGFRA P16234 3/20 0.41
KIT P10721 1/20 0.41
RAF1 P04049 5/20 0.40
BRAF P15056 5/20 0.40
KRAS P01116 4/20 0.40
KDR P35968 4/20 0.40
MAP2K2 P36507 4/20 0.40
MAP2K1 Q02750 4/20 0.40
SRC P12931 4/20 0.38
FGFR1 P11362 3/20 0.38
FGFR4 P22455 1/20 0.38
ABL1 P00519 4/20 0.36
PDGFRB P09619 2/20 0.36
MAPK14 Q16539 2/20 0.36
LYN P07948 2/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL15000163 0.86 PDGFRA (0.54) BTKPDGFRAKITRAF1BRAF
Hydrochloric Acid SCHEMBL14999914 0.86 PDGFRA (0.54) BTKPDGFRAKITRAF1BRAF
SCHEMBL14999793 0.84 SMN1; SMN2 (0.47) BTKPDGFRAKITRAF1BRAF
SCHEMBL15000077 0.82 KIT (0.64) BTKPDGFRAKITRAF1BRAF
SCHEMBL14999752 0.80 KIT (0.55) BTKPDGFRAKITRAF1BRAF
SCHEMBL14999909 0.80 BTK (0.48) BTKPDGFRAKITRAF1BRAF
Hydrochloric Acid SCHEMBL14999996 0.79 KIT (0.54) BTKPDGFRAKITRAF1BRAF
SCHEMBL22538076 0.79 BTK (0.40) BTKPDGFRAKITRAF1BRAF
SCHEMBL22538255 0.78 RAF1 (0.46) BTKPDGFRAKITRAF1BRAF
SCHEMBL14999816 0.78 KIT (0.52) BTKPDGFRAKITRAF1BRAF

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-3722296-A2 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC (US) 2020-10-14 EP disclosed