SCHEMBL14196002

SCHEMBL14196002

COCCNCCCOc1cccc(Nc2nccc(-c3cnc(-c4cncc(Oc5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
SYK P43405 4/20 0.43
ABL1 P00519 3/20 0.42
EGFR P00533 2/20 0.42
BCR P11274 2/20 0.42
PRKCA P17252 2/20 0.42
SRC P12931 1/20 0.42
PRKCD Q05655 1/20 0.42
ABL2 P42684 1/20 0.41
PIK3CG P48736 4/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1A Q13627 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
AIMP2 Q13155 1/20 0.38
KIT P10721 1/20 0.38
JAK2 O60674 3/20 0.38

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
SCHEMBL14224269 0.89 ABL1 (0.51) GSK3BSYKABL1EGFRBCR
SCHEMBL14224080 0.88 GSK3B (0.47) GSK3BSYKABL1EGFRBCR
SCHEMBL14195965 0.88 GSK3B (0.53) GSK3BSYKABL1EGFRBCR
SCHEMBL14195985 0.86 PIK3CG (0.45) GSK3BSYKABL1EGFRBCR
SCHEMBL14224138 0.85 SYK (0.47) GSK3BSYKABL1EGFRBCR
SCHEMBL14195984 0.81 GSK3B (0.48) GSK3BABL1EGFRBCRPRKCA
SCHEMBL14195955 0.81 ABL1 (0.53) SYKABL1EGFRBCRPRKCA
SCHEMBL14195970 0.81 PIK3CG (0.49) GSK3BSYKABL1EGFRBCR
SCHEMBL14224271 0.80 ABL1 (0.46) GSK3BSYKABL1EGFRBCR
SCHEMBL14224130 0.79 SYK (0.51) GSK3BSYKABL1EGFRBCR

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