SCHEMBL20217239

SCHEMBL20217239

CN1CCC(Oc2ccc(C(=N)c3cc(NC=O)ccc3N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHEK2 O96017 1/20 0.40
KDR P35968 2/20 0.40
DYRK1A Q13627 6/20 0.39
CLK2 P49760 3/20 0.39
CLK3 P49761 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GSK3B P49841 5/20 0.37
CAMK2D Q13557 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 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
SCHEMBL20217257 0.89 F10 (0.41) F10F2PRSS1PRSS2F7
SCHEMBL20217559 0.88 OPRK1 (0.36) F10F2PRSS1PRSS2PRSS3
SCHEMBL20217585 0.85 HRH3 (0.38) HRH3
SCHEMBL20217160 0.85 CHEK2 (0.41) F10F2PRSS1PRSS2F7
SCHEMBL20217405 0.79 MAPT (0.44) F10KDRSMN1; SMN2LCK
SCHEMBL20217430 0.78 F10 (0.42) F10F2PRSS1PRSS2F7
SCHEMBL20217692 0.77 KDR (0.38) F10F2PRSS1PRSS2F7
SCHEMBL20217305 0.76 HSD17B10 (0.49) F10
SCHEMBL20217334 0.76 ALDH1A1 (0.50) F10F2PRSS1PRSS2F7
SCHEMBL20217272 0.76 KDM4E (0.49) F2PRSS1HRH3SMN1; SMN2

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed