SCHEMBL6963071

SCHEMBL6963071

Cc1c(COC(=O)c2cccc(C#N)c2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
CCR5 P51681 1/20 0.35
RORC P51449 1/20 0.35
CDC7 O00311 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
VNN1 O95497 2/20 0.33
JAK2 O60674 2/20 0.33
CCR3 P51677 2/20 0.33
JAK3 P52333 1/20 0.33
TYK2 P29597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK1 P23458 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BPTF Q12830 1/20 0.32

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
SCHEMBL6955503 0.92 MAPT (0.35) TYK2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6963603 0.90 KCNH3 (0.36) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6957788 0.90 TRPM8 (0.37) TRPM8JAK2TYK2JAK1
SCHEMBL6962206 0.87 MAPT (0.36) JAK2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6967711 0.85 TRPC3 (0.37) TRPM8JAK2KDM4EJAK1LMNA
SCHEMBL6968472 0.84 NPSR1 (0.34) GRM5CDC7JAK2TYK2SMN1; SMN2
SCHEMBL6958530 0.84 TNF (0.38) JAK2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6962446 0.84 HRH3 (0.35) JAK2KDM4EJAK1LMNAMAPT
SCHEMBL6958401 0.83 UBE2B (0.43) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6967941 0.83 TRPC3 (0.34) TRPM8JAK2KDM4ESMN1; SMN2JAK1

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 2 patents. 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
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed