SCHEMBL7980189

SCHEMBL7980189

Cc1cccc(Cl)c1-c1ncc2c(N)nc3ccc(NCCC4CCCN4C)cc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.44
RAD52 P43351 2/20 0.43
LCK P06239 4/20 0.41
GFER P55789 1/20 0.41
MITF O75030 1/20 0.41
ACP1 P24666 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.37
TERT O14746 1/20 0.36
UHRF1 Q96T88 1/20 0.36
NMT1 P30419 1/20 0.36
KCNH2 Q12809 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL7970503 0.94 CAMK2D (0.43) CAMK2DRAD52LCKGFERMITF
SCHEMBL7970474 0.83 LCK (0.39) LCKFGFR1KDR
SCHEMBL7969906 0.82 LCK (0.37) LCKMEN1KMT2A
SCHEMBL7983648 0.82 LCK (0.57) LCKFGFR1KDR
SCHEMBL7983062 0.82 LCK (0.50) LCKFGFR1KDR
SCHEMBL7979955 0.81 LCK (0.54) LCKFGFR1KDR
SCHEMBL7983209 0.81 LCK (0.58) RAD52LCKFGFR1KDR
SCHEMBL7982210 0.80 MAP3K8 (0.42) LCKMEN1KMT2AFGFR1
SCHEMBL7983240 0.80 PDE2A (0.43) LCKGFERKMT2AFGFR1
SCHEMBL7983558 0.79 LCK (0.39) LCKFGFR1

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