SCHEMBL22066392

SCHEMBL22066392

C=Cc1c(Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc(-c2ccncc2)nc1N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.56
▸ MAPT P10636 2/20 0.54
▸ APEX1 P27695 2/20 0.54
▸ MAPK14 Q16539 5/20 0.53
▸ LCK P06239 4/20 0.53
▸ BRAF P15056 4/20 0.53
▸ KDR P35968 3/20 0.53
▸ TEK Q02763 1/20 0.53
▸ CSF1R P07333 2/20 0.53
▸ SRC P12931 3/20 0.52
▸ KIT P10721 2/20 0.52
▸ DDR1 Q08345 5/20 0.52
▸ DDR2 Q16832 5/20 0.52
▸ EPHB2 P29323 3/20 0.52
▸ PIKFYVE Q9Y2I7 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ESYT2 A0FGR8 2/20 0.48
▸ NBAS A2RRP1 2/20 0.48
▸ CNOT1 A5YKK6 2/20 0.48

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
SCHEMBL24532071 0.82 POLB (0.68) POLBMAPTAPEX1MAPK14LCK
SCHEMBL22024705 0.81 PIKFYVE (0.75) POLBMAPTAPEX1MAPK14LCK
SCHEMBL22025503 0.80 POLB (0.63) POLBMAPTAPEX1MAPK14LCK
SCHEMBL22065428 0.80 POLB (0.58) POLBMAPTAPEX1MAPK14LCK
SCHEMBL5023651 0.79 POLB (0.68) POLBMAPTAPEX1MAPK14LCK
SCHEMBL24532063 0.78 POLB (0.67) POLBMAPTAPEX1MAPK14LCK
SCHEMBL22024864 0.75 PIKFYVE (0.85) POLBBRAFKDRTEKCSF1R
SCHEMBL22024643 0.74 PIKFYVE (0.74) POLBMAPTAPEX1MAPK14LCK
SCHEMBL22024821 0.74 PIKFYVE (0.62) POLBMAPTBRAFKDRTEK
SCHEMBL22024557 0.73 PIKFYVE (0.61) POLBMAPK14LCKBRAFKDR

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-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — EP disclosed
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