SCHEMBL16572731

SCHEMBL16572731

CC(C)n1nc(Cc2cccc(NC(=O)Nc3cccc(CF)c3)c2)c2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.75
▸ ABL1 P00519 6/20 0.50
▸ HCK P08631 4/20 0.50
▸ PDGFRB P09619 1/20 0.48
▸ PIK3CD O00329 3/20 0.48
▸ EGFR P00533 3/20 0.48
▸ KDR P35968 3/20 0.48
▸ PIK3CA P42336 3/20 0.48
▸ MTOR P42345 3/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ EPHB4 P54760 3/20 0.48
▸ PRKDC P78527 3/20 0.48
▸ PI4KB Q9UBF8 3/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ BCR P11274 2/20 0.46
▸ BRAF P15056 1/20 0.46
▸ RET P07949 2/20 0.46

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
SCHEMBL12120704 0.91 SRC (0.75) SRCABL1HCKPDGFRBPIK3CD
SCHEMBL1320636 0.90 SRC (0.70) SRCABL1KDRBCRBRAF
SCHEMBL14982739 0.87 SRC (0.77) SRCABL1HCKPIK3CDEGFR
SCHEMBL12123684 0.86 SRC (0.71) SRCABL1HCKPIK3CDEGFR
SCHEMBL7515173 0.86 SRC (0.76) SRCABL1HCKPIK3CDEGFR
SCHEMBL7506714 0.85 SRC (1.00) SRCABL1HCK
SCHEMBL12120464 0.83 SRC (0.71) SRCABL1HCKPIK3CDEGFR
SCHEMBL12123455 0.82 ABL1 (0.70) SRCABL1HCKPIK3CDEGFR
SCHEMBL12068730 0.82 SRC (1.00) SRCABL1HCKPIK3CDEGFR
SCHEMBL7515000 0.81 SRC (1.00) SRCABL1HCKPIK3CDEGFR

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-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US disclosed
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