SCHEMBL7982210

SCHEMBL7982210

Cc1cccc(Cl)c1-c1ncc2c(N)nc3ccc(NCC4CCCO4)cc3n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.42
TNK2 Q07912 7/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ROS1 P08922 2/20 0.39
ALK Q9UM73 2/20 0.39
CHEK1 O14757 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL7983671 0.93 MAP3K8 (0.46) MAP3K8TNK2ALDH1A1MEN1KMT2A
SCHEMBL7970474 0.88 LCK (0.39) ABL1LCKFGFR1
SCHEMBL7969906 0.87 LCK (0.37) MEN1KMT2ALCKCCNT1
SCHEMBL7983062 0.83 LCK (0.50) LCKFGFR1
SCHEMBL7983240 0.82 PDE2A (0.43) ALDH1A1KMT2AKDM4EABL1LCK
SCHEMBL7980189 0.80 CAMK2D (0.44) MEN1KMT2ALCKFGFR1
SCHEMBL7983648 0.80 LCK (0.57) MAP3K8ALDH1A1KDM4EGLAHPGD
SCHEMBL7983558 0.80 LCK (0.39) LCKFGFR1SRC
SCHEMBL7969613 0.79 PDE2A (0.38) HTTLCKLMNAMAPK1
SCHEMBL7984047 0.79 LCK (0.37) LCKFGFR1SRC

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