SCHEMBL13585646

SCHEMBL13585646

CC(C(=O)O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ MAT2A P31153 1/20 0.54
▸ FABP3 P05413 1/20 0.54
▸ FABP4 P15090 1/20 0.54
▸ FABP5 Q01469 1/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ DHODH Q02127 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ CASP1 P29466 1/20 0.48

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
SCHEMBL13585806 0.82 KDM4E (0.58) KDM4EMAT2AFABP3FABP4FABP5
SCHEMBL24109078 0.79 MAPT (0.54) KDM4EMAT2AFABP3FABP4FABP5
SCHEMBL13585117 0.77 KDM4E (0.58) KDM4EMAT2AFABP3FABP4MAPK1
SCHEMBL24108915 0.76 DHODH (0.58) KDM4EMAT2AFABP3FABP4MAPK1
SCHEMBL24109079 0.75 MAT2A (0.50) KDM4EMAT2AFABP3FABP4FABP5
SCHEMBL24108921 0.74 MAPT (0.61) KDM4EMAT2AMAPK1DHODHGAA
SCHEMBL24108917 0.74 POLB (0.60) KDM4EMAT2AMAPK1DHODHGAA
SCHEMBL24108920 0.74 MAPT (0.54) KDM4EMAT2AMAPK1DHODHGAA
SCHEMBL26314747 0.74 KDM4E (0.55) KDM4EMAT2AFABP3FABP4FABP5
SCHEMBL24109317 0.74 MAT2A (0.61) KDM4EMAT2AMAPK1DHODHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273012-B2 Facile preparation of 4-substituted quinazolines and related heterocycles UNIVERSITY OF HOUSTON SYSTEM (US) 2016-03-01 — — US disclosed
US-20120283436-A1 FACILE PREPARATION OF 4-SUBSTITUTED QUINAZOLINES AND RELATED HETEROCYCLES THE UNIVERSITY OF HOUSTON (US) 2012-11-08 — — US disclosed
WO-2012151141-A2 A FACILE PREPARATION OF 4-SUBSTITUTED QUINAZOLINES AND RELATED HETEROCYCLES UNIVERSITY OF HOUSTON SYSTEM (US) 2012-11-08 — — WO disclosed
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