SCHEMBL4040875

SCHEMBL4040875

Clc1ccc2nc(Cl)c3cncn3c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
LCK P06239 12/20 0.37
HRH4 Q9H3N8 1/20 0.36
SRC P12931 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
CDK1 P06493 1/20 0.31
GSK3B P49841 1/20 0.31
PRKDC P78527 1/20 0.31
RPS6KA5 O75582 1/20 0.31
RPS6KA4 O75676 1/20 0.31

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
SCHEMBL31040788 0.75 BTK (0.41) BTKLCK
SCHEMBL8564870 0.75 PTPN1 (0.40) HRH4RPS6KA5RPS6KA4
SCHEMBL2466070 0.73 BTK (0.49) BTKLCKHRH4
SCHEMBL7981080 0.72 LCK (0.58) LCK
SCHEMBL14828916 0.71 HRH4 (0.54) HRH4CYP11B1CYP11B2
SCHEMBL4036417 0.71 LCK (0.43) BTKLCK
SCHEMBL31040754 0.71 LCK (0.55) BTKLCK
SCHEMBL4038046 0.70 BTK (0.39) BTKLCK
SCHEMBL31026861 0.69 CHEK1 (0.41) LCKCHEK1CHEK2CDK1GSK3B
SCHEMBL4038168 0.69 CHEK1 (0.41) LCKCHEK1CHEK2CDK1GSK3B

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-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed