SCHEMBL9036533

SCHEMBL9036533

Clc1cc2ncc3nnc(-c4ccccc4)n3c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
PDGFRA P16234 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK7 P50613 1/20 0.44
BTK Q06187 1/20 0.44
MAP4K2 Q12851 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TYMS P04818 1/20 0.43
ATM Q13315 3/20 0.42
PIK3CB P42338 2/20 0.42
PRKDC P78527 2/20 0.42
ATR Q13535 2/20 0.42
ATRIP Q8WXE1 2/20 0.42
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
HSD11B1 P28845 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL1599017 0.79 TYMS (0.39) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL9037537 0.77 BRD4 (0.37) ATMPIK3CBPRKDCATRATRIP
SCHEMBL10885012 0.75 PRKDC (0.51) ATMPIK3CBPRKDCATRATRIP
SCHEMBL9040622 0.71 ALDH1A1 (0.36) ATMPIK3CBPRKDCATRATRIP
SCHEMBL9036947 0.71 POLB (0.46) MAPTPOLB
SCHEMBL13579619 0.70 KDR (0.51) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL9036696 0.69 GRIN2D (0.46) ATMPIK3CBPRKDCATRATRIP
SCHEMBL29822889 0.68 GAA (0.53) ABL1CDK7MAP4K2AURKBCLK4
SCHEMBL11101911 0.64 PDE2A (0.47) GAAMAPTKDM4EMEN1NPC1
SCHEMBL30498958 0.64 SMN1; SMN2 (0.64) ABL1PDGFRACSNK1A1CDK7BTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed