SCHEMBL255621

SCHEMBL255621

O=c1[nH]c2nc(Nc3ccc(Br)cc3)ncc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDR P35968 1/20 0.43
▸ CDK4 P11802 4/20 0.40
▸ CCNA2 P20248 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ FGFR1 P11362 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ FGFR3 P22607 2/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CCNA1 P78396 1/20 0.39

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
SCHEMBL31532055 0.79 SIK2 (0.45) MAPK1FGFR1
SCHEMBL22612785 0.79 SIK2 (0.45) MAPK1FGFR1
SCHEMBL31532117 0.75 CDK4 (0.40) ALDH1A1KDRCDK4CCND1CDK2
SCHEMBL31532076 0.75 CDK4 (0.42) MEN1ALDH1A1GAAMAPK1KMT2A
SCHEMBL255623 0.75 MAPT (0.39) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL255619 0.75 ADRB2 (0.49) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL31532080 0.74 MAPK14 (0.47) ALDH1A1MAPTCDK4CCNA2CCND1
SCHEMBL15280148 0.73 CDC7 (0.38) ALDH1A1KDRFGFR1GSK3BROCK1
SCHEMBL29861753 0.72 PDK2 (0.39) MAPK1KDRFGFR1GSK3BROCK1
Ethane SCHEMBL5793409 0.70 WEE1 (0.54) FGFR1FGFR2FGFR4FGFR3WEE1

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-2012028756-A1 PREPARATION OF SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE COMPOUNDS INSTITUT QUÍMIC DE SARRIÀ CETS, FUNDACIÓ PRIVADA (ES) 2012-03-08 — — WO disclosed
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