SCHEMBL8103418

SCHEMBL8103418

Cc1cnc2c(Cl)nc3cc(Cl)c(Cl)cc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.46
CHUK O15111 7/20 0.46
PTPN1 P18031 1/20 0.39
CDK9 P50750 2/20 0.39
ERN1 O75460 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
KIT P10721 1/20 0.39
CDK11B P21127 1/20 0.39
CDK2 P24941 1/20 0.39
TYK2 P29597 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK7 P50613 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK16 Q00536 1/20 0.39
MAPK7 Q13164 1/20 0.39
CDK13 Q14004 1/20 0.39
PRKD1 Q15139 1/20 0.39
RPS6KA1 Q15418 1/20 0.39

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
SCHEMBL4980052 0.83 IKBKB (0.67) IKBKBCHUKCDK9ERN1RPS6KA4
SCHEMBL8118931 0.81 CUL4A (0.52) IKBKBCHUKCDK9ERN1RPS6KA4
SCHEMBL4981355 0.81 IKBKB (0.66) IKBKBCHUKCDK9ERN1RPS6KA4
SCHEMBL21642521 0.79 BRD4 (0.48) PTPN1CDK9CCNT1BRD4
SCHEMBL8117461 0.77 TYMS (0.57) IKBKBCHUKKDM4ELMNAALDH1A1
SCHEMBL8116946 0.75 ALDH1A1 (0.47) IKBKBCHUKCDK9CCNT1ALDH1A1
SCHEMBL121514 0.72 IKBKB (0.46) IKBKBCHUKKDM4ELMNAALDH1A1
SCHEMBL10845609 0.72 GRIN2D (0.42)
SCHEMBL8117112 0.68 GRIA1 (0.56) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL8118650 0.67 GRIN2D (0.49) IKBKBPTPN1CDK9KDM4ECCNT1

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-0865442-B1 IMIDAZO[1,2-a]QUINOXALIN-4-AMINES ACTIVE AS ADENOSINE ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FOSCAMA BIOMED CHIM FARMA (IT) 2000-07-05 EP disclosed