SCHEMBL31420125

SCHEMBL31420125

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)NC4CCCC4)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.51
▸ KDR P35968 2/20 0.51
▸ KIT P10721 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ WNT1 P04628 4/20 0.50
▸ MAPK1 P28482 4/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ JAK2 O60674 1/20 0.46

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
SCHEMBL26685950 1.00 DYRK1A (0.51) DYRK1AKDRKITFLT3WNT1
SCHEMBL30633289 0.99 DYRK1A (0.52) DYRK1AKDRKITFLT3WNT1
SCHEMBL26686055 0.99 DYRK1A (0.52) DYRK1AKDRKITFLT3WNT1
SCHEMBL31240358 0.85 ULK1 (0.61) JAK2
SCHEMBL26685865 0.85 ULK1 (0.61) JAK2
SCHEMBL26686403 0.82 JAK2 (0.52) DYRK1AWNT1JAK2
SCHEMBL31420111 0.82 F11 (0.46) DYRK1AWNT1MAPK1MAP4K4JAK2
SCHEMBL26685887 0.82 F11 (0.46) DYRK1AWNT1MAPK1MAP4K4JAK2
SCHEMBL26686340 0.81 JAK2 (0.56) DYRK1AKDRMAPK1MAP4K4JAK2
SCHEMBL30633352 0.80 JAK2 (0.56) DYRK1AKDRKITFLT3MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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