SCHEMBL16188486

SCHEMBL16188486

C=CC(=C)Nc1ncc(NC(=O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc2C)cn1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.74
BLK P51451 14/20 0.67
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
TEC P42680 1/20 0.53
TXK P42681 1/20 0.53
BMX P51813 1/20 0.53
JAK3 P52333 1/20 0.53
ERBB4 Q15303 1/20 0.53
LCK P06239 1/20 0.52
KIT P10721 1/20 0.51
KDR P35968 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL15998159 0.85 BTK (1.00) BTKBLKEGFRERBB2TEC
SCHEMBL2948801 0.83 BTK (0.77) BTKBLKLCKKITKDR
SCHEMBL15998149 0.80 BTK (1.00) BTKBLKLCK
SCHEMBL2951053 0.77 LCK (0.82) BTKBLKJAK3LCKKDR
SCHEMBL14611027 0.74 LCK (0.64) BTKBLKLCKKDRMAPK14
SCHEMBL16188453 0.74 BTK (0.82) BTKBLKEGFRERBB2TEC
SCHEMBL6228429 0.73 NPC1 (0.70)
SCHEMBL16188450 0.72 BTK (0.82) BTKBLKEGFRERBB2TEC
SCHEMBL15998135 0.71 BTK (0.81) BTKBLKEGFRERBB2TEC
SCHEMBL15998171 0.71 BTK (1.00) BTKBLKEGFRERBB2TEC

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-2014169710-A1 KINASE INHIBITOR AND METHOD FOR TREATING RELATED DISEASES 北京大学深圳研究生院 (CN) 2014-10-23 WO disclosed