SCHEMBL31420111

SCHEMBL31420111

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)CC4CCCCC4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.46
▸ JAK2 O60674 2/20 0.44
▸ DYRK1A Q13627 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ ULK1 O75385 6/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ WNT1 P04628 2/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42

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
SCHEMBL26685887 1.00 F11 (0.46) F11JAK2DYRK1AMAPK1GSK3B
SCHEMBL26685865 0.83 ULK1 (0.61) F11JAK2GSK3BULK1
SCHEMBL31240358 0.83 ULK1 (0.61) F11JAK2GSK3BULK1
SCHEMBL26686055 0.83 DYRK1A (0.52) DYRK1AMAPK1MAP4K4WNT1
SCHEMBL30633289 0.83 DYRK1A (0.52) DYRK1AMAPK1MAP4K4WNT1
SCHEMBL31420125 0.82 DYRK1A (0.51) JAK2DYRK1AMAPK1MAP4K4WNT1
SCHEMBL26685950 0.82 DYRK1A (0.51) JAK2DYRK1AMAPK1MAP4K4WNT1
SCHEMBL26686340 0.79 JAK2 (0.56) F11JAK2DYRK1AMAPK1ULK1
SCHEMBL26686403 0.79 JAK2 (0.52) JAK2DYRK1AMAPK14WNT1
SCHEMBL31240493 0.78 WNT3A (0.57) F11JAK2DYRK1AGSK3BMAPK14

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
Send feedback