SCHEMBL14715583

SCHEMBL14715583

COc1ccc(C2CCCCC2)cc1NC(=O)c1ccc(C)c(-c2nc(N)c3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.53
KDR P35968 1/20 0.52
CCR5 P51681 4/20 0.47
TP53 P04637 5/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13219951 0.80 TEK (0.57) TEKKDRCCR5TP53MAPT
SCHEMBL5489490 0.79 TEK (0.54) TEKKDRCCR5TP53MAPT
SCHEMBL5492089 0.78 KDR (0.55) TEKKDR
SCHEMBL15215854 0.77 TEK (0.59) TEKKDRCCR5TP53CYP1A2
SCHEMBL1266252 0.76 TEK (0.74) TEKKDRCCR5MAPTALDH1A1
SCHEMBL5260499 0.74 LMNA (0.57) TEKKDRCCR5TP53MAPT
SCHEMBL5491818 0.73 MAPK14 (0.57) CYP2C9
SCHEMBL2977110 0.72 TEK (0.53) TEKKDR
SCHEMBL14715462 0.72 ALDH1A1 (0.58) TP53CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5622955 0.70 TEK (0.56) TEKKDRCCR5TP53MAPT

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-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed