SCHEMBL8287302

SCHEMBL8287302

OCCNc1ccnc(Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ IKBKB O14920 2/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ MARK3 P27448 1/20 0.51
▸ EPHA2 P29317 1/20 0.51

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
SCHEMBL8287024 0.88 AURKA (0.62) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL31059888 0.88 AURKA (0.62) AURKANPC1MAPTMAPK1RAB9A
Cardiogenol C SCHEMBL8286309 0.85 ALDH1A1 (0.70) AURKANPC1MAPTMAPK1RAB9A
Cardiogenol C SCHEMBL29766906 0.85 ALDH1A1 (0.70) AURKANPC1MAPTMAPK1RAB9A
Cardiogenol C SCHEMBL30628562 0.84 ALDH1A1 (0.68) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL8286308 0.82 AURKA (0.51) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL2176931 0.82 SCN9A (0.50) MAPTMAPK1RAB9AMEN1ALDH1A1
SCHEMBL2174904 0.81 HTR7 (0.46) ALDH1A1LMNAKMT2ARECQLMCL1
SCHEMBL2177484 0.77 EGFR (0.57) NPC1RAB9AMEN1KMT2ACDK4
SCHEMBL2190249 0.75 HTR7 (0.42) KMT2ASCN9AKCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611457-B2 Triazine derivatives as differentiation catalysts TECHNISCHE UNIVERSITAET WIEN (AT) 2017-04-04 — — US disclosed
US-9611457-B2 Triazine derivatives as differentiation catalysts TECHNISCHE UNIVERSITAET WIEN (AT) 2017-04-04 — — US disclosed
US-20140234965-A1 TRIAZINE DERIVATIVES AS DIFFERENTIATION CATALYSTS MEDIZINISCHE UNIVERSITAET WIEN (AT) 2014-08-21 — — US disclosed
US-20140234965-A1 TRIAZINE DERIVATIVES AS DIFFERENTIATION CATALYSTS MEDIZINISCHE UNIVERSITAET WIEN (AT) 2014-08-21 — — US disclosed
WO-2005068437-A1 2, 4 - DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS NOVARTIS AG (CH) 2005-07-28 — — WO disclosed
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