SCHEMBL6776474

SCHEMBL6776474

CNC(C#Cc1cc2ncnc(Oc3ccc(F)cc3Br)c2cc1OC)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
TRPA1 O75762 1/20 0.39
KDR P35968 8/20 0.37
MET P08581 4/20 0.36
ATM Q13315 2/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
EGFR P00533 1/20 0.35
FLT3 P36888 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 SCHEMBL6776480 0.85 AXL (0.41) AXLTRPA1KDRMETATM
SCHEMBL6776169 0.82 ATM (0.42) KDRATM
SCHEMBL6776483 0.82 TRPA1 (0.39) AXLTRPA1KDRMETEGFR
SCHEMBL6780330 0.76 KDR (0.39) KDRATMEGFR
SCHEMBL4374479 0.71 AXL (0.56) AXLTRPA1KDRMETATM
SCHEMBL4422009 0.70 TRPA1 (0.52) TRPA1KDRMETEGFR
SCHEMBL6776477 0.69 TRPA1 (0.40) TRPA1KDRMETEGFRFLT3
SCHEMBL4424010 0.69 TRPA1 (0.46) TRPA1KDRMETCCNT1CDK9
SCHEMBL4424729 0.69 TRPA1 (0.57) AXLTRPA1KDRMETEGFR
SCHEMBL4686840 0.68 TRPA1 (0.49) TRPA1KDRMETEGFR

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