SCHEMBL31190884

SCHEMBL31190884

CCc1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(C(=O)NC)ccn12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.56
P2RX3 P56373 2/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
PADI4 Q9UM07 1/20 0.37
BCAT1 P54687 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CGAS Q8N884 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL31190916 0.89 NPC1 (0.43) MAPK10AKT1AKT2NPC1RAB9A
SCHEMBL18648907 0.85 P2RX3 (0.50) MAPK10P2RX3NPC1RAB9AMAPT
SCHEMBL31091863 0.83 MAPK10 (0.39) MAPK10P2RX3AKT1AKT2NPC1
SCHEMBL31091950 0.83 AKT1 (0.43) MAPK10P2RX3AKT1AKT2NPC1
SCHEMBL31190910 0.82 MAPK10 (0.45) MAPK10P2RX3NPC1RAB9AP2RX2
SCHEMBL31190885 0.74 DHODH (0.39) MAPK10NPC1RAB9A
SCHEMBL31190909 0.74 ALDH1A1 (0.39) MAPK10NPC1RAB9AMAPTCYP3A4
SCHEMBL18892168 0.74 P2RX3 (0.43) P2RX3NPC1RAB9AMAPTP2RX2
SCHEMBL31190888 0.74 AKT1 (0.42) MAPK10AKT1AKT2NPC1RAB9A
SCHEMBL31191052 0.74 DPP4 (0.34) MAPK10NPC1RAB9AMAPTGAA

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-2024220543-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed