SCHEMBL11054591

SCHEMBL11054591

Cc1cccc(Cl)c1-n1cnc(N)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.46
HCAR1 Q9BXC0 2/20 0.40
EGFR P00533 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
EPHB4 P54760 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL11053990 0.90 HCAR1 (0.48) CHRNA7HCAR1EGFRFGFR1SRC
SCHEMBL11052581 0.90 HCAR1 (0.48) CHRNA7HCAR1FGFR1KMT2A
SCHEMBL11055617 0.84 FGFR1 (0.39) CHRNA7HCAR1EGFRFGFR1SRC
SCHEMBL11059375 0.83 HCAR1 (0.40) CHRNA7HCAR1FGFR1KMT2A
SCHEMBL11053190 0.83 KDM4E (0.40) CHRNA7HCAR1EGFRFGFR1SRC
SCHEMBL11054450 0.83 HCAR1 (0.40) CHRNA7HCAR1
SCHEMBL11056242 0.83 HCAR1 (0.40) CHRNA7HCAR1KMT2A
SCHEMBL11056476 0.83 HCAR1 (0.40) CHRNA7HCAR1FGFR1KMT2A
SCHEMBL11059558 0.82 FGFR1 (0.38) CHRNA7HCAR1EGFRFGFR1SRC
SCHEMBL11056344 0.81 EGFR (0.37) CHRNA7HCAR1EGFRFGFR1SRC

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