SCHEMBL11055980

SCHEMBL11055980

CCc1cc(N)cc(Br)c1-n1cnc(NC)nc1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.31
SIK1 P57059 1/20 0.30
SIK2 Q9H0K1 1/20 0.30
SIK3 Q9Y2K2 1/20 0.30

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
SCHEMBL11496851 0.93 SIK1 (0.30) SIK1SIK2SIK3
SCHEMBL11058852 0.91 ELANE (0.34) ELANE
SCHEMBL11054473 0.86
SCHEMBL11053272 0.86 NOS3 (0.32) ELANE
SCHEMBL11059409 0.85 ELANE (0.31) ELANESIK1SIK2SIK3
SCHEMBL11055393 0.85 ESR1 (0.38)
SCHEMBL11057711 0.85 EGFR (0.33) ELANESIK1SIK2SIK3
SCHEMBL11344723 0.83 NPC1 (0.32) SIK1SIK2SIK3
SCHEMBL11498090 0.79 ESR1 (0.34)
SCHEMBL11053551 0.79 ESR1 (0.34)

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 2 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-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed