SCHEMBL14196036

SCHEMBL14196036

O=C(CCC1NC(=O)CNC1=O)Nc1cccc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.53
SRC P12931 10/20 0.53
PDGFRB P09619 10/20 0.53
PDGFRA P16234 10/20 0.53
PRKCA P17252 7/20 0.53
PRKCD Q05655 4/20 0.53
BCR P11274 16/20 0.52
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCH P24723 1/20 0.48
PRKCI P41743 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCZ Q05513 1/20 0.48
PRKD1 Q15139 1/20 0.48
ABL2 P42684 2/20 0.46
SYK P43405 1/20 0.45
EGFR P00533 1/20 0.44
MAPK8 P45983 1/20 0.41

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
SCHEMBL14196032 0.81 ABL1 (0.56) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14224139 0.80 ABL1 (0.63) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14224137 0.80 ABL1 (0.66) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196037 0.79 ABL1 (0.64) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196030 0.78 ABL1 (0.58) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196031 0.75 ABL1 (0.51) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196046 0.74 ABL1 (0.53) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196044 0.73 ABL1 (0.51) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196035 0.72 ABL1 (0.51) ABL1SRCPDGFRBPDGFRAPRKCA
SCHEMBL14196039 0.72 ABL1 (0.55) ABL1SRCPDGFRBPDGFRAPRKCA

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