SCHEMBL20008203

SCHEMBL20008203

C=CCCN(CCC)c1cc(-c2cc(-c3cncc(OC)c3)ccc2C)cn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
METAP2 P50579 1/20 0.37
BRD4 O60885 4/20 0.35
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
CYP1A2 P05177 4/20 0.35
CRHR1 P34998 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
BRD9 Q9H8M2 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL20008703 0.66 CRHR1 (0.35) RAF1BRAFCRHR1
SCHEMBL20008141 0.61 BRAF (0.31) BRAFCRHR1
SCHEMBL20008772 0.60 BRAF (0.31) BRAF
SCHEMBL4132041 0.58 MTOR (0.46) CRHR1CYP3A4PRMT5WDR77
SCHEMBL10304949 0.57 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5702666 0.56 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL11307533 0.56 CRHR1 (0.46) CRHR1
SCHEMBL15296276 0.56 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL21960161 0.55 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL24556443 0.55 BRD4 (0.56) BRD4BRD9

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed