SCHEMBL20217833

SCHEMBL20217833

CCC(CNC(=O)c1ccc(N)c(C(=N)c2ccc(OC3CCN(C)CC3)cc2)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
F10 P00742 5/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PRSS3 P35030 1/20 0.42
SRD5A1 P18405 1/20 0.40
SLC5A7 Q9GZV3 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39

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
SCHEMBL20217340 0.87 MEN1 (0.42) HRH1CCR3KCNH2F10F2
SCHEMBL20217305 0.85 HSD17B10 (0.49) F10SLC5A7ALDH1A1LMNAMEN1
SCHEMBL20217221 0.83 TTK (0.51) F10F2PRSS1PRSS2F7
SCHEMBL20217681 0.82 L3MBTL1 (0.40) HRH1CCR3KCNH2F10F2
SCHEMBL20217729 0.82 F10 (0.44) F10F2PRSS1PRSS2F7
SCHEMBL20217304 0.82 F10 (0.44) F10F2PRSS1PRSS2F7
SCHEMBL20217290 0.81 ALDH1A1 (0.49) F10F2PRSS1PRSS2F7
SCHEMBL20217747 0.79 CYP3A4 (0.47) F10F2PRSS1PRSS2F7
SCHEMBL20217564 0.79 LMNA (0.43) HRH1CCR3KCNH2SRD5A1SLC5A7
SCHEMBL20217682 0.79 HRH3 (0.41) HRH1CCR3KCNH2F10F2

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