SCHEMBL14196032

SCHEMBL14196032

O=C(CC1CC1)Nc1cccc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.56
BCR P11274 18/20 0.56
SRC P12931 11/20 0.56
PDGFRB P09619 10/20 0.56
PDGFRA P16234 10/20 0.56
PRKCA P17252 8/20 0.56
PRKCD Q05655 5/20 0.56
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCZ Q05513 1/20 0.53
PRKD1 Q15139 1/20 0.53
ABL2 P42684 1/20 0.51
EGFR P00533 2/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49

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
SCHEMBL14196030 0.84 ABL1 (0.58) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14224139 0.83 ABL1 (0.63) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14224137 0.83 ABL1 (0.66) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196037 0.82 ABL1 (0.64) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196036 0.81 ABL1 (0.53) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196046 0.81 ABL1 (0.53) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196031 0.81 ABL1 (0.51) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196044 0.80 ABL1 (0.51) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196035 0.80 ABL1 (0.51) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL14196039 0.80 ABL1 (0.55) ABL1BCRSRCPDGFRBPDGFRA

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-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed
US-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed