SCHEMBL22562282

SCHEMBL22562282

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2-c2cccc(-c3ccccc3)n2)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
ALDH1A3 P47895 2/20 0.34
STS P08842 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
FER P16591 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL22562560 0.99 PTGER4 (0.34) PTGER4ALDH1A3STSJAK2PRKD3
SCHEMBL22562279 0.97 ALDH1A3 (0.36) ALDH1A3STSJAK2PRKD3ABL1
SCHEMBL22562565 0.96 ALDH1A3 (0.35) ALDH1A3STSJAK2PRKD3ABL1
SCHEMBL22562267 0.94 ALDH1A3 (0.34) ALDH1A3STSJAK2PRKD3ABL1
SCHEMBL19909131 0.91 MYC (0.37) PTGER4ALDH1A3STSJAK2PRKD3
SCHEMBL22562272 0.91 ALDH1A3 (0.36) ALDH1A3STSJAK2PRKD3ABL1
SCHEMBL22562481 0.91 XDH (0.36) PTGER4ALDH1A3ABCB1ABCG2ESRRB
SCHEMBL21278792 0.90 ABCG2 (0.37) PTGER4ALDH1A3STSJAK2PRKD3
SCHEMBL22563561 0.90 ABCG2 (0.37) PTGER4ALDH1A3STSJAK2PRKD3
SCHEMBL22562451 0.89 GABRG2 (0.40) ALDH1A3CLK4TGFBR1GABRG2GABRB3

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