SCHEMBL23936583

SCHEMBL23936583

CC(O)(O)Cc1ncccc1-n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.51
▸ RAB9A P51151 2/20 0.48
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC9A1 P19634 4/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ ATM Q13315 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CCNE1 P24864 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
SCHEMBL18899460 0.82 KCNMA1 (0.58) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL12835952 0.82 RAB9A (0.54) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL24743260 0.76 RAB9A (0.57) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL10429585 0.71 KCNMA1 (0.55) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL24016771 0.70 RAB9A (0.53) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL4209963 0.69 KCNMA1 (0.64) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL80393 0.69 KCNMA1 (1.00) KCNMA1RAB9AKMT2AMEN1MAPT
SCHEMBL25862494 0.69 KCNMA1 (0.64) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL16796215 0.68 RAB9A (0.68) KCNMA1RAB9AKMT2AKDM4ELMNA
SCHEMBL21668435 0.68 KCNMA1 (0.58) KCNMA1RAB9AKDM4ELMNANPSR1

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-3723808-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 — — EP disclosed
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