SCHEMBL18924557

SCHEMBL18924557

CN(C(=O)c1ccc(-c2ccc3cn[nH]c3c2)cc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.49
▸ FGFR2 P21802 2/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ AR P10275 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ROCK1 Q13464 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ PRKX P51817 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ MET P08581 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ CDK5 Q00535 1/20 0.43

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
SCHEMBL18924451 0.91 MAPK14 (0.48) POLBARNPC1RAB9AROCK1
SCHEMBL18924529 0.82 POLB (0.46) POLBNPC1RAB9AHPGDALDH1A1
SCHEMBL18924391 0.82 POLB (0.45) POLBNPC1RAB9AHPGDTGFBR1
SCHEMBL17739730 0.80 FASN (0.68) FASN
SCHEMBL18924558 0.80 FASN (0.68) FASN
SCHEMBL16365757 0.80 FASN (0.68) FASN
SCHEMBL16324411 0.80 FASN (0.68) FASN
SCHEMBL18924533 0.77 POLB (0.49) POLBNPC1RAB9AROCK1ROCK2
SCHEMBL18924542 0.76 MAPK14 (0.46) POLBNPC1RAB9AHPGDTGFBR1
SCHEMBL18924454 0.76 DYRK1A (0.49) POLBNPC1RAB9AHPGDALDH1A1

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
US-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 — — US disclosed
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