SCHEMBL20344648

SCHEMBL20344648

N=C/C(=C\NCc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
NR4A1 P22736 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL21210266 0.81 ADH1B (0.43) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL24270964 0.81 ADH1B (0.43) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL19675579 0.80 ADH1B (0.42) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL20344487 0.80 ADH1B (0.52) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL7449222 0.76 ADH1B (0.52) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL7449229 0.76 ADH1B (0.52) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL10151057 0.73 ADH1B (0.53) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL23188929 0.73 ADH1B (0.57) ADH1BADH1CADH1AADH7CYP2D6
SCHEMBL24136384 0.73 ADH1B (0.47) ADH1BADH1CADH1AADH7CYP2C9
SCHEMBL16903733 0.73 ADH1B (0.47) ADH1BADH1CADH1AADH7CYP2D6

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
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed