SCHEMBL10832926

SCHEMBL10832926

Cc1nc(-c2ccccc2)c(C(C)C#N)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ PTGS2 P35354 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ LIMK1 P53667 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
SCHEMBL26051044 0.82 MAPK13 (0.51) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL11996623 0.76 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL10832921 0.75 NR4A2 (0.46) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL10832865 0.73 MAPK14 (0.39) MAPK14CHEK1ABL1PDGFRBPDGFRA
SCHEMBL5214925 0.70 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL27597513 0.69 HPGD (0.43) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL2091239 0.69 MAPK13 (0.83) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5210818 0.68 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL31194851 0.68 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL15716348 0.67 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11PTGS2

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
Send feedback