SCHEMBL6961689

SCHEMBL6961689

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)cc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRC P12931 1/20 0.31
PABPC1 P11940 1/20 0.31
NPR3 P17342 1/20 0.31
POLB P06746 1/20 0.30
CACNA1B Q00975 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL6961693 1.00 SCN9A (0.38) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6963186 0.95 SCN9A (0.39) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6963190 0.95 SCN9A (0.39) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6966588 0.94 SCN9A (0.33) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6966590 0.94 SCN9A (0.33) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6956720 0.91 SCN9A (0.33) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6958137 0.90 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6967714 0.90 PABPC1 (0.41) SCN9APABPC1NPR3
SCHEMBL6958132 0.90 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6967718 0.90 PABPC1 (0.41) SCN9APABPC1NPR3

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed