SCHEMBL6963915

SCHEMBL6963915

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)C(CO)NC(=O)OC(C)(C)C)ccc3C2C)c1C.c1ccc2c(c1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.36
PABPC1 P11940 1/20 0.32
GHSR Q92847 3/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LIPE Q05469 1/20 0.31
P2RX7 Q99572 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
SCHEMBL6957720 0.95 SCN9A (0.35) SCN9APABPC1JAK2JAK3PTK2
SCHEMBL6968593 0.94 SCN9A (0.33) SCN9APABPC1GHSRKDM4EALDH1A1
SCHEMBL6965676 0.91 PABPC1 (0.41) SCN9APABPC1P2RX7
SCHEMBL6965678 0.91 PABPC1 (0.41) SCN9APABPC1P2RX7
SCHEMBL6967090 0.89 SCN9A (0.34) SCN9APABPC1GHSRKDM4EALDH1A1
SCHEMBL6967088 0.89 SCN9A (0.34) SCN9APABPC1GHSRKDM4EALDH1A1
SCHEMBL6963186 0.89 SCN9A (0.39) SCN9APABPC1GHSRKDM4EALDH1A1
SCHEMBL6963190 0.89 SCN9A (0.39) SCN9APABPC1GHSRKDM4EALDH1A1
SCHEMBL6956720 0.89 SCN9A (0.33) SCN9APABPC1KDM4EALDH1A1GLA
SCHEMBL6963911 0.89 KLK7 (0.40) SCN9APABPC1GHSRP2RX7

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