SCHEMBL24699042

SCHEMBL24699042

N#Cc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.48
CYP11B1 P15538 8/20 0.48
KDM1A O60341 6/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL24698161 0.86 CYP11B2 (0.39) CYP11B2KDM4EADORA2A
SCHEMBL24699037 0.84 MTOR (0.44) CYP11B2CYP11B1KDM1A
SCHEMBL30016357 0.84 MTOR (0.44) CYP11B2CYP11B1KDM1A
SCHEMBL24699497 0.83 HSD17B10 (0.43) KDM4E
SCHEMBL24699083 0.81 DRD2 (0.38) KDM4E
SCHEMBL24699476 0.79 GBA1 (0.39) KDM1AKDM4EPDE10A
SCHEMBL24698813 0.78 IGF1R (0.37) KDM4E
SCHEMBL24697795 0.75 ALDH1A1 (0.40) KDM4E
SCHEMBL24699477 0.75 ALDH1A1 (0.47) KDM4E
SCHEMBL24698171 0.74 ALDH1A1 (0.54) KDM4E

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed