SCHEMBL20217682

SCHEMBL20217682

CCC(NC(=O)c1ccc(N)c(C(=N)c2ccc(OC3CCN(C)CC3)cc2)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
F10 P00742 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRSS3 P35030 1/20 0.39
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 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
SCHEMBL20217272 0.89 KDM4E (0.49) HRH3F2PRSS1KDM4EMAPT
SCHEMBL20217290 0.85 ALDH1A1 (0.49) HRH3F10F2PRSS1PRSS2
SCHEMBL20217632 0.82 CYP3A4 (0.52) HRH3F10KDRMEN1KMT2A
SCHEMBL20217504 0.82 TTK (0.39) HRH3F10F2PRSS1PRSS2
SCHEMBL20217594 0.82 F10 (0.43) HRH3F10F2PRSS1PRSS2
SCHEMBL20217340 0.81 MEN1 (0.42) HRH3F10F2PRSS1PRSS2
SCHEMBL20217221 0.81 TTK (0.51) F10F2PRSS1PRSS2F7
SCHEMBL20217260 0.80 TTK (0.39) HRH3F10F2PRSS1PRSS2
SCHEMBL20217315 0.80 CYP3A4 (0.52) F10KDR
SCHEMBL20217144 0.79 ALOX15 (0.42) F10PRSS1KDM4EIDO1PLAU

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