SCHEMBL31415414

SCHEMBL31415414

CCc1ccc(N)cc1-c1ccn(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ MAP4K1 Q92918 1/20 0.38
▸ JAK2 O60674 6/20 0.38
▸ JAK1 P23458 6/20 0.38
▸ TYK2 P29597 6/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ JMJD6 Q6NYC1 4/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 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
SCHEMBL31415329 0.78 KEAP1 (0.55) KEAP1JAK2JAK1TYK2JAK3
SCHEMBL31415382 0.77 KEAP1 (0.53) KEAP1JAK2JAK1TYK2JAK3
SCHEMBL9289349 0.76 KMT2A (0.50) KEAP1KMT2AKDM4EJMJD6CASP6
SCHEMBL31241561 0.73 KEAP1 (0.53) KEAP1KMT2AKDM4ENSD2ALDH1A1
SCHEMBL31415385 0.73 KEAP1 (0.49) KEAP1
SCHEMBL31415248 0.73 KEAP1 (0.49) KEAP1KMT2AKDM4ENSD2ALDH1A1
SCHEMBL31415520 0.72 KEAP1 (0.47) KEAP1KMT2AKDM4ENSD2ALDH1A1
SCHEMBL25395410 0.71 KDM1A (0.43) KDM4EALDH1A1MAPT
SCHEMBL31415565 0.71 KEAP1 (0.46) KEAP1JAK2JAK1TYK2JAK3
SCHEMBL31415538 0.70 KEAP1 (0.45) KEAP1KMT2AKDM4ENSD2ALDH1A1

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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