SCHEMBL7882191

SCHEMBL7882191

CNC(N)=NC(=O)c1cc2c(C)ccc(OCc3ccccn3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.41
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
BRD4 O60885 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PKM P14618 1/20 0.37
PARP10 Q53GL7 1/20 0.37
MAPK14 Q16539 3/20 0.37
SMO Q99835 3/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
LCK P06239 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL7873911 0.96 SYK (0.39) SYKAURKBINCENPBRD4MTNR1A
SCHEMBL7882012 0.81 KDM4E (0.49) PKM
SCHEMBL7884292 0.81 BRD4 (0.35) BRD4
Hydrochloric Acid SCHEMBL7880942 0.81 KDM4E (0.48) PKM
SCHEMBL7879639 0.81 BRD4 (0.38) BRD4
SCHEMBL7884308 0.80 KDM4E (0.33) AURKB
Hydrochloric Acid SCHEMBL7884332 0.79 TOP2A (0.33) AURKB
SCHEMBL7882189 0.79 SYK (0.41) SYKAURKBINCENPBRD4PARP10
SCHEMBL7879910 0.79 RHEB (0.34)
SCHEMBL7879937 0.78 FFAR4 (0.36)

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-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed