SCHEMBL4038017

SCHEMBL4038017

Clc1cc2c(cn1)nc(Cl)c1cncn12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
LCK P06239 17/20 0.34
BRD4 O60885 1/20 0.32

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
SCHEMBL4038046 0.87 BTK (0.39) BTKLCK
SCHEMBL2466070 0.77 BTK (0.49) BTKHRH4LCK
SCHEMBL14829007 0.74 HRH4 (0.57) HRH4
SCHEMBL31040754 0.74 LCK (0.55) BTKLCK
SCHEMBL7223653 0.73 LCK (0.56) BTKLCK
SCHEMBL7981080 0.72 LCK (0.58) LCK
SCHEMBL31136593 0.72 LCK (0.42) BTKLCK
SCHEMBL3497163 0.71 LCK (0.55) BTKLCK
SCHEMBL4040875 0.70 BTK (0.39) BTKHRH4LCK
SCHEMBL31136256 0.69 BTK (0.36) BTKLCK

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