SCHEMBL7979701

SCHEMBL7979701

COc1ccc2c(c1)nc(Nc1ccccc1Br)c1cncn12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.69
LYN P07948 1/20 0.49
BTK Q06187 1/20 0.49
SRC P12931 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7987300 0.87 LCK (0.73) LCKLYNBTK
SCHEMBL7981350 0.87 LCK (0.69) LCKKDM4EMAPT
SCHEMBL7981225 0.85 LCK (0.74) LCKLYNBTK
SCHEMBL7981236 0.83 LCK (0.74) LCKLYNBTK
SCHEMBL7979971 0.83 LCK (0.69) LCKLYNBTK
SCHEMBL7969605 0.80 LCK (0.64) LCKLYNBTKSRC
SCHEMBL7981186 0.80 LCK (0.86) LCKSRC
SCHEMBL7970028 0.79 LCK (0.77) LCKKDM4EMAPT
SCHEMBL7969634 0.79 LCK (0.88) LCK
SCHEMBL7983647 0.79 LCK (0.74) LCKLYNBTK

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