SCHEMBL7969906

SCHEMBL7969906

Cc1cccc(Cl)c1-c1ncc2c(N)nc3ccc(NCC4CCCCC4)cc3n12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BACE1 P56817 6/20 0.35
PDE2A O00408 2/20 0.35
APP P05067 1/20 0.35
CCNT1 O60563 2/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
YES1 P07947 1/20 0.33
PDGFRB P09619 1/20 0.33
EPHB4 P54760 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
SCHEMBL7970474 0.95 LCK (0.39) LCKPDE2A
SCHEMBL7982210 0.87 MAP3K8 (0.42) LCKMEN1KMT2ACCNT1
SCHEMBL7969613 0.87 PDE2A (0.38) LCKPDE2A
SCHEMBL7983240 0.85 PDE2A (0.43) LCKKMT2APDE2A
SCHEMBL7983062 0.85 LCK (0.50) LCKPDE2A
SCHEMBL7980189 0.82 CAMK2D (0.44) LCKMEN1KMT2A
SCHEMBL7983558 0.82 LCK (0.39) LCKPDE2A
SCHEMBL7984047 0.81 LCK (0.37) LCKPDE2A
SCHEMBL7979955 0.81 LCK (0.54) LCKPDE2A
SCHEMBL7983671 0.80 MAP3K8 (0.46) MEN1KMT2ABACE1PDE2ACCNT1

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