SCHEMBL10832865

SCHEMBL10832865

CC(C#N)c1ocnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.39
▸ ADORA2A P29274 6/20 0.34
▸ ADORA1 P30542 6/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ GRK5 P34947 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ NEK2 P51955 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34

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
SCHEMBL14790520 0.81 MAPK14 (0.47) MAPK14ADORA2A
SCHEMBL23559176 0.78 MAPK14 (0.42) MAPK14ADORA2AALDH1A1LMNATP53
SCHEMBL11752620 0.75 MAPK14 (0.49) MAPK14ADORA2A
SCHEMBL10832326 0.74 PTGS2 (0.46) MAPK14ADORA2AMAPTALDH1A1LMNA
SCHEMBL10832926 0.73 MAPK14 (0.45) MAPK14ADORA2AADORA1CHEK1ABL1
SCHEMBL11753280 0.68 MAPK14 (0.45) MAPK14ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL8060009 0.67 PTGS1 (0.47) MAPK14ADORA2AALDH1A1LMNATP53
SCHEMBL24212672 0.67 MAPK14 (0.49) MAPK14ADORA2ALMNATP53HTT
SCHEMBL11750960 0.66 MAPK14 (0.43) MAPK14ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL926216 0.65 MAPK14 (0.55) MAPK14ADORA2AALDH1A1CYP1A2CYP3A4

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
US-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 — — US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 — — EP disclosed
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