SCHEMBL20217468

SCHEMBL20217468

CCC(CNC(=O)c1ccc(N)c(C(=N)I)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
F3 P13726 5/20 0.40
F2 P00734 4/20 0.40
F10 P00742 4/20 0.40
F7 P08709 4/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL20217833 0.76 HRH1 (0.42) KMT2AMEN1F3F2F10
SCHEMBL20217251 0.76 ACSS2 (0.38) F3F2F10F7PRSS1
SCHEMBL20217634 0.75 TAS1R3 (0.40) KDM4EALDH1A1GAAMAPK1
SCHEMBL20217243 0.71 KDM4E (0.51) KDM4EALDH1A1HSD17B10
SCHEMBL20217161 0.70 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL16292558 0.70 MAPK1 (0.45) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL20217344 0.68 ALDH1A1 (0.53) KDM4EALDH1A1RAB9AHDAC8HDAC6
SCHEMBL3782099 0.68 MTNR1A (0.71) KMT2AMEN1NPC1RAB9AHDAC8
SCHEMBL20217342 0.67 APLNR (0.49)
SCHEMBL18572792 0.67 ALDH1A1 (0.58) KMT2AMEN1KDM4EALDH1A1NPC1

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