SCHEMBL18708798

SCHEMBL18708798

CNc1cc(F)c2cn[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
METAP2 P50579 3/20 0.38
HTR2C P28335 2/20 0.37
TDO2 P48775 1/20 0.36
PDPK1 O15530 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
CYP1A2 P05177 1/20 0.35
AXL P30530 1/20 0.35
JAK2 O60674 5/20 0.34

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
SCHEMBL18257315 0.80 IDO1 (0.43) IDO1METAP2TDO2PDPK1CYP1A2
SCHEMBL685418 0.76 IDO1 (0.59) IDO1METAP2TDO2PIK3CDABL1
SCHEMBL3538351 0.75 METAP2 (0.56) IDO1METAP2TDO2PIK3CDABL1
SCHEMBL30403358 0.75 METAP2 (0.56) IDO1METAP2TDO2PIK3CDABL1
SCHEMBL30861059 0.73 LRRK2 (0.54) CYP1A2FLT3
SCHEMBL27227968 0.73 LRRK2 (0.54) CYP1A2FLT3
SCHEMBL14737953 0.72 METAP2 (0.53) IDO1METAP2TDO2CYP1A2AXL
SCHEMBL12683697 0.72 FGFR1 (0.44) IDO1METAP2TDO2PIK3CDABL1
SCHEMBL18062618 0.72 IDO1 (0.47) IDO1METAP2TDO2PIK3CDABL1
SCHEMBL1318814 0.72 TDO2 (0.61) IDO1METAP2TDO2AXL

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-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 EP disclosed