SCHEMBL21296840

SCHEMBL21296840

CC(C)(C)OC(=O)n1nccc1-c1cccc(Nc2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.42
ACKR3 P25106 7/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
BRAF P15056 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIP5K1C O60331 1/20 0.37

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
SCHEMBL21296842 0.89 BRAF (0.49) ACKR3BRAFWNT1GSK3BDYRK1A
SCHEMBL21296779 0.84 JAK2 (0.43) JAK2JAK3
SCHEMBL21296774 0.76 MAPT (0.46) JAK2JAK3
SCHEMBL21296781 0.75 MAPT (0.47) BRAF
SCHEMBL21296800 0.73 CNR1 (0.43) BRAF
SCHEMBL21296839 0.72 PDK1 (0.48) JAK2
SCHEMBL23610573 0.71 SCN3A (0.44) BRAF
SCHEMBL21296771 0.71 MAP2K4 (0.39) CDK5CDK5R1DYRK1A
SCHEMBL23610577 0.71 HSD17B1 (0.47) BRAF
SCHEMBL21296776 0.69 KMT2A (0.53)

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-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed