SCHEMBL29437698

SCHEMBL29437698

CC1(C)c2ccccc2N(c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
USP8 P40818 5/20 0.36
CHEK1 O14757 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PRKCQ Q04759 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL21074220 1.00 PGR (0.38) PGRUSP8CHEK1ABL1PDGFRB
SCHEMBL21074156 0.95 CHEK1 (0.38) PGRUSP8CHEK1ABL1PDGFRB
SCHEMBL29116525 0.86 PGR (0.36) PGRCHEK1ABL1PDGFRBPDGFRA
SCHEMBL20496059 0.85 MAPT (0.41) PGRCHEK1KMT2AMEN1HTT
SCHEMBL23839209 0.84 USP8 (0.33) PGRUSP8CHEK1ABL1PDGFRB
SCHEMBL21074277 0.84 USP8 (0.40) PGRUSP8CHEK1ABL1PDGFRB
SCHEMBL18758208 0.84 PGR (0.44) PGRMAPK14KMT2AMEN1HTT
SCHEMBL17739615 0.83 TDP1 (0.44) MAPK14KMT2AMEN1MAPTALDH1A1
SCHEMBL21074243 0.83 CHEK1 (0.41) USP8CHEK1ABL1PDGFRBPDGFRA
SCHEMBL18959497 0.82 PGR (0.38) PGRKMT2AMEN1HTTCRHBP

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-3375779-B1 2,3-DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL AND LIGHT TRANSMITTER USING THE SAME UNIV KYUSHU NAT UNIV CORP (JP) 2022-09-07 EP disclosed
CN-108137554-B Dicyanopyrazine compound, light-emitting material, light-emitting element using the light-emitting material, and method for producing 2, 5-dicyano-3, 6-dihalopyrazine 国立大学法人九州大学 2022-03-18 CN disclosed