SCHEMBL11061829

SCHEMBL11061829

C#CCNc1ncn(-c2c(Cl)cccc2CC)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.36
EGFR P00533 3/20 0.36
HCAR1 Q9BXC0 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
GRM1 Q13255 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHRNA7 P36544 4/20 0.33
MAPK14 Q16539 3/20 0.33
MAPK11 Q15759 1/20 0.32
P2RX7 Q99572 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
SCHEMBL11055515 0.93 KCNH3 (0.37) FGFR1EGFRHCAR1KCNH3GRM1
SCHEMBL11055235 0.89 FGFR1 (0.46) FGFR1EGFRHCAR1SRCFGFR2
SCHEMBL11060182 0.88 CHRNA7 (0.43) FGFR1EGFRHCAR1CHRNA7
SCHEMBL11054558 0.88 HCAR1 (0.34) HCAR1KCNH3GRM1CHRNA7
SCHEMBL11056900 0.87 FGFR1 (0.41) FGFR1EGFRHCAR1SRCFGFR2
SCHEMBL11058764 0.85 FGFR1 (0.41) FGFR1EGFRHCAR1SRCCHRNA7
SCHEMBL11057689 0.85 FGFR1 (0.36) FGFR1EGFRHCAR1SRCFGFR2
SCHEMBL11061318 0.85 FGFR1 (0.49) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL11053408 0.84 MAPT (0.37) FGFR1EGFRHCAR1SRCFGFR2
SCHEMBL11057771 0.84 FGFR1 (0.46) FGFR1EGFRKCNH3SRCFGFR2

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