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
SCHEMBL10655159 0.83 KDM4E (0.48) —
SCHEMBL10731837 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL10736548 0.83 — —
SCHEMBL10654564 0.82 — —
SCHEMBL10659233 0.82 — —
SCHEMBL10733601 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
Send feedback