SCHEMBL11052653

SCHEMBL11052653

CNc1ncn(-c2c(F)cccc2Cl)c(=O)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.41
SRC P12931 2/20 0.41
EGFR P00533 1/20 0.41
WEE1 P30291 2/20 0.39
CHRNA7 P36544 5/20 0.38
PDE7A Q13946 2/20 0.38
HCAR1 Q9BXC0 3/20 0.37
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK14 Q16539 1/20 0.35
MAT2A P31153 1/20 0.35
LCK P06239 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
SCHEMBL11051186 0.90 FGFR1 (0.45) FGFR1SRCEGFRWEE1CHRNA7
SCHEMBL11050172 0.85 HCAR1 (0.38) FGFR1SRCEGFRCHRNA7PDE7A
SCHEMBL11054604 0.85 CHRNA7 (0.47) FGFR1SRCEGFRWEE1CHRNA7
SCHEMBL11058764 0.84 FGFR1 (0.41) FGFR1SRCEGFRCHRNA7HCAR1
SCHEMBL11058426 0.84 FGFR1 (0.41) FGFR1SRCEGFRCHRNA7HCAR1
SCHEMBL11053190 0.80 KDM4E (0.40) FGFR1SRCEGFRWEE1CHRNA7
SCHEMBL11054404 0.77 HCAR1 (0.46) FGFR1SRCEGFRCHRNA7HCAR1
SCHEMBL11056006 0.76 KCNH2 (0.39) FGFR1SRCEGFRHCAR1KCNH2
Hydrochloric Acid SCHEMBL11052665 0.76 HCAR1 (0.44) FGFR1SRCEGFRCHRNA7HCAR1
SCHEMBL10537622 0.75 HCAR1 (0.36) FGFR1SRCEGFRCHRNA7HCAR1

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
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed