SCHEMBL7983613

SCHEMBL7983613

Nc1nc2ccc(NCCN3CCOCC3)cc2n2c(-c3c(F)cccc3Cl)ncc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.51
PDE2A O00408 3/20 0.49
MAP3K8 P41279 4/20 0.46
SRC P12931 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42

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
SCHEMBL7980015 0.95 LCK (0.52) LCKPDE2AMAP3K8SRCL3MBTL1
SCHEMBL7983648 0.93 LCK (0.57) LCKPDE2AMAP3K8SRCDHFR
SCHEMBL7983209 0.88 LCK (0.58) LCKPDE2ASRCL3MBTL1FGFR1
SCHEMBL7983672 0.86 FGFR1 (0.53) LCKMAP3K8SRCFGFR1EGFR
SCHEMBL7969613 0.82 PDE2A (0.38) LCKPDE2ALMNAMAPK1
SCHEMBL7979828 0.82 LCK (0.48) LCKPDE2AFGFR1
SCHEMBL7970503 0.82 CAMK2D (0.43) LCKPDE2A
SCHEMBL7987029 0.81 LCK (0.45) LCKPDE2AFGFR1
SCHEMBL7969691 0.81 NPC1 (0.39) LCKPDE2AADORA2AADORA1CCNT1
SCHEMBL7983671 0.81 MAP3K8 (0.46) PDE2AMAP3K8LMNAMAPK1ALDH1A1

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