SCHEMBL30860873

SCHEMBL30860873

CC(C)Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.38
CYP1A2 P05177 4/20 0.38
ULK1 O75385 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.34
AURKA O14965 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNT2 O60583 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL27228246 1.00 LRRK2 (0.38) LRRK2CYP1A2ULK1TLR7GAA
SCHEMBL2148905 0.84 LRRK2 (0.37) LRRK2CYP1A2PDE2AAURKACCNT1
SCHEMBL14140885 0.84 CDK1 (0.47) LRRK2CYP1A2ULK1PDE2AAURKA
SCHEMBL1774548 0.84 CDK1 (0.47) LRRK2CYP1A2ULK1PDE2AAURKA
SCHEMBL2522284 0.84 LRRK2 (0.37) LRRK2CYP1A2PDE2AAURKACCNT1
SCHEMBL29107804 0.82 LRRK2 (0.35) LRRK2CYP1A2ULK1KMT2AAURKA
SCHEMBL31081933 0.81 TRPM8 (0.37) LRRK2CYP1A2AURKAALDH1A1KDM4E
SCHEMBL1936959 0.81 KDM4E (0.39) LRRK2CYP1A2ULK1KMT2AKDM4E
SCHEMBL26664440 0.81 TRPM8 (0.37) LRRK2CYP1A2AURKAALDH1A1KDM4E
SCHEMBL4536814 0.81 LRRK2 (0.54) LRRK2CYP1A2ULK1

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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed