SCHEMBL11054604

SCHEMBL11054604

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.47
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
HCAR1 Q9BXC0 2/20 0.38
WEE1 P30291 1/20 0.38
MAPK14 Q16539 1/20 0.36

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 0.92 FGFR1 (0.45) CHRNA7EGFRFGFR1SRCHCAR1
SCHEMBL11054404 0.90 HCAR1 (0.46) CHRNA7EGFRFGFR1SRCHCAR1
Hydrochloric Acid SCHEMBL11052665 0.89 HCAR1 (0.44) CHRNA7EGFRFGFR1SRCHCAR1
SCHEMBL11058178 0.86 FGFR1 (0.45) CHRNA7FGFR1HCAR1WEE1MAPK14
SCHEMBL11057821 0.86 CHRNA7 (0.44) CHRNA7HCAR1WEE1
SCHEMBL11058286 0.86 EGFR (0.45) CHRNA7EGFRFGFR1SRC
SCHEMBL11058426 0.85 FGFR1 (0.41) CHRNA7EGFRFGFR1SRCHCAR1
SCHEMBL11052653 0.85 FGFR1 (0.41) CHRNA7EGFRFGFR1SRCHCAR1
SCHEMBL11058764 0.85 FGFR1 (0.41) CHRNA7EGFRFGFR1SRCHCAR1
SCHEMBL11057854 0.84 HCAR1 (0.41) CHRNA7EGFRFGFR1SRCHCAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338441-A CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND WILLIAM H. RORER, INC. (US) 1982-07-06 US claimed
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4338441-A CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND WILLIAM H. RORER, INC. (US) 1982-07-06 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
US-4203985-A Antidiarrheal triazinones WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4203983-A GASTROINTESTINAL DISORDERS WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4203984-A Antisecretory triazinones WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4198409-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed