Sugi Predict

Sugi Predict / Compounds / SCHEMBL13808798

SCHEMBL13808798

SCHEMBL13808798

Bc1cccc(C2(C#N)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ OPRM1 P35372 3/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ OPRL1 P41146 3/20 0.36
▸ OPRD1 P41143 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
SCHEMBL10526309 0.77 KDM1A (0.46) KMT2AOPRM1
SCHEMBL923226 0.77 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL1008115 0.77 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL10529080 0.77 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL1986488 0.77 KMT2A (0.49) KMT2AOPRM1OPRL1OPRD1
SCHEMBL2816850 0.77 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL3206919 0.77 KMT2A (0.45) KMT2AOPRM1CA12CA1CA2
SCHEMBL4437271 0.77 KDM1A (0.50) KMT2AOPRM1OPRL1
SCHEMBL1007128 0.77 KMT2A (0.78) KMT2AOPRM1OPRL1OPRD1
SCHEMBL12284174 0.75 OPRM1 (0.46) KMT2AOPRM1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 — — WO disclosed