SCHEMBL6955503

SCHEMBL6955503

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
TYK2 P29597 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 1/20 0.34
JAK1 P23458 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
BPTF Q12830 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
OPRM1 P35372 1/20 0.34
BTK Q06187 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL6963603 0.94 KCNH3 (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6957788 0.94 TRPM8 (0.37) KMT2ATYK2JAK1BTK
SCHEMBL6963071 0.92 GRM5 (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6962206 0.91 MAPT (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6967711 0.88 TRPC3 (0.37) KDM4EKMT2ALMNAJAK1
SCHEMBL6968472 0.88 NPSR1 (0.34) SMN1; SMN2KMT2ATYK2TP53RXFP1
SCHEMBL6958530 0.88 TNF (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6962446 0.87 HRH3 (0.35) MAPTKDM4EKMT2ALMNAJAK1
SCHEMBL6958401 0.87 UBE2B (0.43) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6967410 0.87 KCNH3 (0.34) MAPTKDM4ESMN1; SMN2KMT2ALMNA

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 3 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 claimed
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