SCHEMBL6776169

SCHEMBL6776169

CNC(C#Cc1cc2ncnc(N)c2cc1OC)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.42
MAP4K4 O95819 1/20 0.39
BRD4 O60885 4/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.35
DRD2 P14416 4/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ENPP1 P22413 2/20 0.34
DYRK1A Q13627 1/20 0.34

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
Methylamine SCHEMBL6776180 0.83 ATM (0.45) ATMMAP4K4BRD4DRD2CSNK2A2
SCHEMBL6776474 0.82 AXL (0.40) ATMKDR
SCHEMBL6780330 0.82 KDR (0.39) ATMKDR
SCHEMBL6776188 0.78 MAP4K4 (0.39) ATMMAP4K4KDRENPP1
SCHEMBL7141642 0.72 STK17B (0.39) BRD4MEN1GAAKMT2A
SCHEMBL7625181 0.72 MAP4K4 (0.40) ATMMAP4K4KDRENPP1
Methylamine SCHEMBL6780338 0.68 HDAC3 (0.43) ATMKDR
Methylamine SCHEMBL6776480 0.67 AXL (0.41) ATMKDR
SCHEMBL5911734 0.65 ENPP1 (0.52) ATMBRD4KDRENPP1
SCHEMBL4431432 0.65 ADRA2A (0.47) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed