SCHEMBL14224080

SCHEMBL14224080

COCCNCCCOc1cccc(Nc2nccc(-c3cnc(-c4cccc(-c5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
ABL1 P00519 2/20 0.43
EGFR P00533 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
PIK3CG P48736 4/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
SYK P43405 3/20 0.42
ABL2 P42684 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
DYRK1A Q13627 1/20 0.41
CAMK2D Q13557 1/20 0.40
AIMP2 Q13155 1/20 0.40
JAK2 O60674 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 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
SCHEMBL14195965 0.93 GSK3B (0.53) GSK3BABL1EGFRBCRSRC
SCHEMBL14224271 0.91 ABL1 (0.46) GSK3BABL1EGFRBCRSRC
SCHEMBL14224269 0.91 ABL1 (0.51) GSK3BABL1EGFRBCRSRC
SCHEMBL14196002 0.88 GSK3B (0.44) GSK3BABL1EGFRBCRSRC
SCHEMBL14195970 0.85 PIK3CG (0.49) GSK3BABL1EGFRBCRSRC
SCHEMBL14224138 0.85 SYK (0.47) GSK3BABL1EGFRBCRSRC
SCHEMBL14196034 0.84 ABL1 (0.47) GSK3BABL1EGFRBCRSRC
SCHEMBL14196028 0.84 ABL1 (0.45) GSK3BABL1EGFRBCRSRC
SCHEMBL14224130 0.83 SYK (0.51) GSK3BABL1EGFRBCRSRC
SCHEMBL14224457 0.83 SYK (0.51) GSK3BABL1EGFRBCRSRC

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 1 patent. 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