SCHEMBL3670487

SCHEMBL3670487

CN1CCC(Nc2cc(N3CCN(C)CC3)ccc2C(=O)O)CC1.CN1CCN(c2ccc(C(=O)OC(C)(C)C)c(N)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 8/20 0.42
ALK Q9UM73 8/20 0.42
IGF1R P08069 7/20 0.42
HTR6 P50406 3/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
SIRT6 Q8N6T7 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
SYK P43405 2/20 0.37
PLK4 O00444 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 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
SCHEMBL3512971 0.90 HTR6 (0.47) INSRALKIGF1RHTR6MAPT
SCHEMBL589358 0.85 KDM4E (0.51) INSRALKIGF1RHTR6MAPT
SCHEMBL1334262 0.84 INSR (0.47) INSRALKIGF1RHTR6MAPT
SCHEMBL18918322 0.83 HTR6 (0.45) INSRALKIGF1RHTR6MAPT
SCHEMBL30957440 0.82 ALK (0.50) INSRALKIGF1RHTR6AURKA
SCHEMBL589318 0.82 ALK (0.50) INSRALKIGF1RHTR6AURKA
SCHEMBL3512534 0.82 INSR (0.43) INSRALKIGF1RHTR6MAPT
SCHEMBL3513509 0.82 HTR6 (0.43) INSRALKIGF1RHTR6MAPT
SCHEMBL3513050 0.82 HTR6 (0.43) INSRALKIGF1RHTR6MAPT
SCHEMBL3513046 0.82 HTR6 (0.43) INSRALKIGF1RHTR6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed