SCHEMBL10656540

SCHEMBL10656540

COc1ccc2nnn(CCCCn3ccnc3)c(=O)c2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.48
QPCT Q16769 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3B P49841 1/20 0.46

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
SCHEMBL10739872 0.85 DRD4 (0.48) MEN1KMT2ATSHRMAPK1
SCHEMBL10731837 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL10736548 0.83
SCHEMBL10655159 0.83 KDM4E (0.48)
SCHEMBL10654564 0.82
SCHEMBL10733601 0.82
SCHEMBL10659233 0.82
SCHEMBL10658102 0.80 TSHR (0.57) MEN1KMT2AALDH1A1TSHR
SCHEMBL10736597 0.79 TSHR (0.56) MEN1KMT2AALDH1A1TSHR
SCHEMBL10735085 0.79 TSHR (0.56) MEN1KMT2AALDH1A1TSHR

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
EP-0293500-A1 3-heteroalkyl-2,4.quinzaoline-diones AMERICAN CYANAMID COMPANY (US) 1988-12-07 EP disclosed
US-4680293-A 3-imidazolylalkyl-, triazolylalkyl-, pyridinylalkyl-1,2,3-benzotriazin-4(3H)-ones and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1987-07-14 US disclosed