SCHEMBL19675865

SCHEMBL19675865

COc1ccc(Nc2nc(Nc3ccc(F)nc3)ncc2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.66
SYK P43405 5/20 0.66
BRD4 O60885 2/20 0.52
JAK2 O60674 3/20 0.49
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
CHEK1 O14757 1/20 0.49
NTRK2 Q16620 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
STK17A Q9UEE5 1/20 0.48
HDAC1 Q13547 1/20 0.48
PTK2 Q05397 1/20 0.47
CDK4 P11802 1/20 0.47
CDK2 P24941 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
SCHEMBL15584963 0.86 SYK (0.64) AURKASYKCHEK1NTRK2CDK5
SCHEMBL655996 0.80 SYK (1.00) AURKASYKJAK2JAK3NTRK2
SCHEMBL10228970 0.78 SYK (0.89) AURKASYKJAK2JAK3NTRK2
SCHEMBL655648 0.76 SYK (0.92) AURKASYKJAK2JAK3NTRK2
SCHEMBL28504300 0.76 JAK3 (0.63) AURKASYKBRD4JAK2JAK1
SCHEMBL15585044 0.76 SYK (0.54) AURKASYKCHEK1NTRK2STK17A
SCHEMBL19675784 0.76 MERTK (0.54) AURKASYKBRD4JAK2JAK1
SCHEMBL653706 0.76 SYK (0.72) AURKASYKBRD4JAK2JAK1
SCHEMBL19654299 0.75 BRD4 (0.67) AURKASYKBRD4JAK2JAK1
SCHEMBL19654300 0.75 BRD4 (0.67) AURKASYKBRD4JAK2JAK1

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
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed