SCHEMBL7979828

SCHEMBL7979828

CN(C)CCNc1ccc2nc(N)c3cnc(-c4c(F)cccc4Cl)n3c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.48
PDE2A O00408 10/20 0.40
PDE10A Q9Y233 1/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
HTR6 P50406 1/20 0.33

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
SCHEMBL7987029 0.95 LCK (0.45) LCKPDE2APDE10AFGFR1KDR
SCHEMBL7982991 0.94 LCK (0.43) LCKPDE2APDE10AFGFR1KDR
SCHEMBL7987537 0.93 LCK (0.42) LCKPDE2APDE10AFGFR1KDR
SCHEMBL7979955 0.93 LCK (0.54) LCKPDE2ANOS1NOS2FGFR1
SCHEMBL7982709 0.85 LCK (0.53) LCKPDE2ANOS1NOS2FGFR1
SCHEMBL7969691 0.84 NPC1 (0.39) LCKPDE2APDE10A
SCHEMBL7969613 0.84 PDE2A (0.38) LCKPDE2APDE10A
SCHEMBL7983672 0.83 FGFR1 (0.53) LCKFGFR1KDR
SCHEMBL7983613 0.82 LCK (0.51) LCKPDE2AFGFR1
SCHEMBL7970503 0.82 CAMK2D (0.43) LCKPDE2A

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