SCHEMBL22066328

SCHEMBL22066328

CNc1nc(CC=N)nc(Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1C=N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
APEX1 P27695 2/20 0.55
MAPT P10636 1/20 0.55
BMX P51813 1/20 0.53
LCK P06239 5/20 0.53
MAPK14 Q16539 4/20 0.53
SRC P12931 2/20 0.53
KIT P10721 1/20 0.53
DDR1 Q08345 4/20 0.53
DDR2 Q16832 4/20 0.53
EPHB2 P29323 2/20 0.53
BRAF P15056 6/20 0.52
KDR P35968 2/20 0.52
TEK Q02763 1/20 0.52
CSF1R P07333 1/20 0.51
HTT P42858 1/20 0.51
ESYT2 A0FGR8 1/20 0.51
HACL2 A1L0T0 1/20 0.51
NBAS A2RRP1 1/20 0.51
GTPBP10 A4D1E9 1/20 0.51

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
SCHEMBL22066412 0.89 POLB (0.57) POLBAPEX1MAPTBMXLCK
SCHEMBL22065360 0.87 POLB (0.53) POLBAPEX1MAPTBMXLCK
SCHEMBL22066322 0.86 LCK (0.54) POLBAPEX1MAPTBMXLCK
SCHEMBL22065355 0.86 LCK (0.54) POLBAPEX1MAPTBMXLCK
SCHEMBL22066074 0.79 BRAF (0.61) APEX1BMXLCKMAPK14SRC
SCHEMBL17131157 0.77 MAPK14 (0.72) POLBAPEX1MAPTLCKMAPK14
SCHEMBL22066484 0.77 MAPK14 (0.68) POLBAPEX1MAPTLCKMAPK14
SCHEMBL22065302 0.74 KIT (0.71) POLBAPEX1MAPTLCKMAPK14
SCHEMBL22024999 0.72 DDR2 (0.70) POLBAPEX1MAPTLCKMAPK14
SCHEMBL21068015 0.72 CSF1R (0.81) POLBAPEX1MAPTLCKMAPK14

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