SCHEMBL7969619

SCHEMBL7969619

Nc1nc2c(-c3c(F)cccc3Cl)cc(NCC3CC3)cc2n2cncc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.37
CDK9 P50750 1/20 0.33
SOS1 Q07889 1/20 0.33
CCNT1 O60563 1/20 0.32
CRHR1 P34998 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
SCHEMBL7970478 0.90 LCK (0.41) LCK
SCHEMBL7983674 0.87 ALDH1A1 (0.41) LCKCCNT1
SCHEMBL7969910 0.86 LCK (0.40) LCKCCNT1
SCHEMBL7979832 0.84 LCK (0.49) LCK
SCHEMBL7969694 0.83 LCK (0.38) LCKCDK9CCNT1
SCHEMBL7970506 0.83 RAD52 (0.39) LCK
SCHEMBL7987033 0.82 LCK (0.49) LCKCDK9CCNT1
SCHEMBL7983616 0.82 LCK (0.51) LCKCCNT1
SCHEMBL7982995 0.81 LCK (0.47) LCKCDK9CCNT1
SCHEMBL7983677 0.81 FGFR1 (0.50) 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 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