SCHEMBL29993671

SCHEMBL29993671

[2H]c1ccc2nn(C3CC3)cc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
PDE4D Q08499 3/20 0.32
PTPN11 Q06124 1/20 0.31

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
SCHEMBL29993809 0.71 KDM4E (0.31)
SCHEMBL20155400 0.71 PDE4D (0.39) LRRK2PDE4DPTPN11
SCHEMBL26921636 0.70 PTPN11 (0.35) LRRK2PDE4DPTPN11
SCHEMBL17404485 0.67 KDM5A (0.43)
SCHEMBL26921676 0.64 PTPN11 (0.33) PTPN11
SCHEMBL476839 0.64 HPGD (0.37)
SCHEMBL28596096 0.63 IRAK4 (0.36) LRRK2
SCHEMBL29303422 0.62 HDAC8 (0.34) PTPN11
SCHEMBL29304924 0.62 ALDH1A1 (0.39) PTPN11
SCHEMBL29175942 0.61 LRRK2 (0.35) LRRK2

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
WO-2022237178-A1 BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-11-17 WO disclosed