SCHEMBL4372117

SCHEMBL4372117

COc1ccc(-c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 4/20 0.57
PIK3CG P48736 2/20 0.57
MAPK8 P45983 2/20 0.57
ABL1 P00519 10/20 0.50
BCR P11274 9/20 0.50
PDGFRB P09619 7/20 0.50
PDGFRA P16234 7/20 0.50
EGFR P00533 3/20 0.50
PRKCA P17252 3/20 0.50
HDAC1 Q13547 1/20 0.49
CAMK2D Q13557 2/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3221971 0.84 ABL1 (0.53) CAMKK2PIK3CGMAPK8ABL1BCR
SCHEMBL22169873 0.83 CAMKK2 (0.74) CAMKK2PIK3CGMAPK8ABL1BCR
SCHEMBL22169872 0.83 CAMKK2 (0.64) CAMKK2PIK3CGMAPK8ABL1BCR
SCHEMBL22169842 0.82 CAMKK2 (0.63) CAMKK2PIK3CGMAPK8ABL1BCR
SCHEMBL29707254 0.82 ABL1 (0.71) CAMKK2ABL1BCRPDGFRBPDGFRA
SCHEMBL533540 0.82 ABL1 (0.71) CAMKK2ABL1BCRPDGFRBPDGFRA
SCHEMBL16898354 0.80 ABL1 (0.56) CAMKK2ABL1BCRPDGFRBPDGFRA
SCHEMBL4373261 0.78 CAMKK2 (0.53) CAMKK2PIK3CGMAPK8ABL1BCR
SCHEMBL3948017 0.78 ABL1 (0.56) CAMKK2ABL1BCRPDGFRBPDGFRA
SCHEMBL2984112 0.78 CAMKK2 (0.70) CAMKK2PIK3CGMAPK8ABL1BCR

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
WO-2009109991-A2 NOVEL HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD., (IN) 2009-09-11 WO claimed