SCHEMBL6692684

SCHEMBL6692684

Cc1cccc2oc(-c3c[nH]nc3-c3ccc(N(C(=O)c4ccccc4)C(=O)c4ccc(Cl)cc4)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.41
CEPT1 Q9Y6K0 2/20 0.40
GPBAR1 Q8TDU6 6/20 0.36
TOP2A P11388 1/20 0.36
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPK14 Q16539 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DHODH Q02127 2/20 0.33
CHEK2 O96017 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL6694405 0.84 SMN1; SMN2 (0.45) AGPAT2MAPTSMN1; SMN2POLBTHRB
SCHEMBL6086300 0.78 CEPT1 (0.47) AGPAT2CEPT1MAPTRXFP1POLB
SCHEMBL6688046 0.78 CEPT1 (0.40) AGPAT2CEPT1TOP2ACYP3A4POLB
SCHEMBL6086055 0.73 CEPT1 (0.39) AGPAT2CEPT1TOP2AMAPTRXFP1
SCHEMBL6086493 0.71 CEPT1 (0.48) AGPAT2CEPT1MAPTRXFP1SMN1; SMN2
SCHEMBL6084017 0.71 CEPT1 (0.52) AGPAT2CEPT1TOP2AMAPTRXFP1
SCHEMBL6084212 0.71 CEPT1 (0.51) AGPAT2CEPT1MAPTRXFP1CYP1A2
SCHEMBL6085859 0.70 CEPT1 (0.51) AGPAT2CEPT1TOP2AMAPTRXFP1
SCHEMBL6087191 0.70 CEPT1 (0.51) AGPAT2CEPT1TOP2AMAPTRXFP1
SCHEMBL6688484 0.70 CEPT1 (0.44) AGPAT2CEPT1MAPTRXFP1POLB

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-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed