SCHEMBL22562408

SCHEMBL22562408

N#Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(-c5ccccc5)n4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C#N)cc43)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
SCN9A Q15858 3/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LCK P06239 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
FER P16591 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
FRK P42685 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
SCHEMBL22562411 0.97 ACP1 (0.39) ACP1SCN9AJAK2PRKD3ABL1
SCHEMBL22562493 0.94 ACP1 (0.38) ACP1SCN9AJAK2PRKD3ABL1
SCHEMBL22562409 0.94 ACP1 (0.39) ACP1SCN9AJAK2PRKD3ABL1
SCHEMBL22562312 0.93 KIF11 (0.40) ACP1SCN9ASYKKDM4EALDH1A1
SCHEMBL22562616 0.92 ALDH1A3 (0.35) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562310 0.91 ALDH1A3 (0.42) ACP1SCN9ASYKKDM4EALDH1A1
SCHEMBL22562495 0.91 ACP1 (0.38) ACP1SCN9AJAK2PRKD3ABL1
SCHEMBL22562416 0.91 ACP1 (0.39) ACP1SCN9AJAK2PRKD3ABL1
SCHEMBL21546743 0.91 ACP1 (0.39) ACP1SCN9ACLK4KDM4EALDH1A1
SCHEMBL22562315 0.91 ALDH1A3 (0.40) ACP1SCN9AKDM4EALDH1A1L3MBTL1

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed