SCHEMBL31512002

SCHEMBL31512002

Cc1cnc(N)cc1-c1ccn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.46
▸ NOS1 P29475 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ KEAP1 Q14145 1/20 0.43
▸ MAPK10 P53779 5/20 0.42
▸ PIK3CB P42338 3/20 0.40
▸ ADORA2A P29274 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ MPO P05164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ PIP5K1C O60331 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 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
SCHEMBL31512068 0.77 ALOX5AP (0.43) KEAP1MAPK10PIK3CBADORA2ALRRK2
SCHEMBL31415329 0.76 KEAP1 (0.55) KEAP1PIK3CBKMT2APIK3CDPIK3CG
SCHEMBL19480882 0.73 CYP2A6 (0.46) NOS3NOS1NOS2KEAP1MAPK10
SCHEMBL28365466 0.70 KEAP1 (0.61) NOS3NOS2KEAP1PIK3CBADORA2A
SCHEMBL30269965 0.70 KEAP1 (0.61) NOS3NOS2KEAP1PIK3CBADORA2A
SCHEMBL25742607 0.70 KEAP1 (0.47) KEAP1MAPK10PIK3CBADORA2AKMT2A
SCHEMBL23107322 0.69 KMT2A (0.35) KEAP1MAPK10KMT2AJMJD6
Hydrochloric Acid SCHEMBL31512090 0.69 GRM4 (0.38) NOS3NOS1NOS2PIK3CBJAK2
SCHEMBL16911518 0.69 KDM4E (0.47) KEAP1KMT2ACYP3A4S1PR2JMJD6
SCHEMBL20912065 0.69 KMT2A (0.40) KEAP1MAPK10KMT2AS1PR2JMJD6

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-2025054366-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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