SCHEMBL7541301

SCHEMBL7541301

CCCCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(CCc4cc(Nc5ccc(OC)nc5)n[nH]4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 2/20 0.42
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NTRK1 P04629 1/20 0.40
DDR1 Q08345 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.37
ABL1 P00519 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL6846576 0.91 MAP3K20 (0.43) MAP3K20RAF1BRAFTAAR1NTRK1
SCHEMBL6845411 0.89 TAAR1 (0.49) MAP3K20RAF1BRAFTAAR1NTRK1
SCHEMBL6846581 0.82 SCN9A (0.41) MAP3K20HPGDMAPK14ABL1
SCHEMBL6841239 0.80 MAP3K20 (0.43) MAP3K20RAF1BRAFMAPTSMN1; SMN2
SCHEMBL6846667 0.79 HPGD (0.43) MAP3K20RAF1BRAFMAPTSMN1; SMN2
SCHEMBL6846684 0.76 TP53 (0.48) RAF1BRAFTAAR1NTRK1DDR1
SCHEMBL7015526 0.74 TAAR1 (0.45) MAP3K20RAF1BRAFTAAR1NTRK1
SCHEMBL6846899 0.73 HPGD (0.44) MAPTSMN1; SMN2HPGDMAPK14
SCHEMBL6846845 0.73 HPGD (0.44) BRAFMAPTSMN1; SMN2HPGD
SCHEMBL6841384 0.69 ABL1 (0.41) BRAFDDR1TP53MAPTTHRB

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-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed