SCHEMBL19917522

SCHEMBL19917522

N#Cc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.43
PDK2 Q15119 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
PTPN5 P54829 2/20 0.37
SYK P43405 1/20 0.37
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
MYC P01106 1/20 0.36
PDPK1 O15530 1/20 0.35
ALDH1A3 P47895 1/20 0.35
PGR P06401 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TACR1 P25103 1/20 0.34
MAP4K4 O95819 1/20 0.34
KAT6A Q92794 1/20 0.34
ACLY P53396 1/20 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
SCHEMBL21547123 0.93 PTPN5 (0.46) KIF11PDK2GABRA1GABRG2GABRB3
SCHEMBL21547121 0.93 PTPN5 (0.43) KIF11PDK2GABRG2GABRB3GABRA5
SCHEMBL19942721 0.92 ABCG2 (0.39) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL21547120 0.91 PTPN5 (0.43) KIF11PDK2PTPN5SYKPDPK1
SCHEMBL22562280 0.90 MYC (0.42) KIF11PDK2GABRA1GABRG2GABRB3
SCHEMBL22760671 0.89 PTPN5 (0.44) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19942722 0.89 ABCG2 (0.37) KIF11SYKMYCPDPK1ALDH1A3
SCHEMBL21546866 0.88 PTPN5 (0.43) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562274 0.87 MYC (0.40) KIF11PDK2GABRA1GABRG2GABRB3
SCHEMBL22761174 0.86 PTPN5 (0.43) PDK2GABRA1GABRG2GABRB3GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504200-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2021-01-20 EP disclosed
WO-2018037069-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2018-03-01 WO disclosed