SCHEMBL7979858

SCHEMBL7979858

COC(=O)c1ccc2c(c1)nc(Cl)c1cncn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.53
CSNK2A1 P68400 1/20 0.50
KDM4E B2RXH2 2/20 0.49
FGFR1 P11362 1/20 0.45
BTK Q06187 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 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
SCHEMBL29893558 1.00 LCK (0.53) LCKCSNK2A1KDM4EFGFR1BTK
SCHEMBL31136680 0.90 LCK (0.63) LCKCSNK2A1KDM4EFGFR1BTK
SCHEMBL7979815 0.84 LCK (0.47) LCKCSNK2A1FGFR1BTKCSNK2A2
SCHEMBL29893072 0.81 KDM4E (0.50) CSNK2A1KDM4EFGFR1CSNK2A2CSNK2B
SCHEMBL29893318 0.80 KDM4E (0.49) LCKCSNK2A1KDM4EFGFR1CSNK2A2
SCHEMBL29893528 0.80 KDM4E (0.52) LCKCSNK2A1KDM4EFGFR1MAPT
SCHEMBL31167541 0.79 KDM4E (0.48) CSNK2A1KDM4EFGFR1MAPT
SCHEMBL31167537 0.79 KDM4E (0.48) CSNK2A1KDM4EFGFR1MAPT
SCHEMBL29892855 0.79 KDM4E (0.48) CSNK2A1KDM4EFGFR1MAPTALDH1A1
SCHEMBL7987646 0.78 LCK (0.86) LCK

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed