SCHEMBL30633403

SCHEMBL30633403

Nc1n[nH]c2ccc(-c3ccnc(NC(=O)Nc4ccc(F)cc4)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.57
▸ KDR P35968 12/20 0.53
▸ KIT P10721 4/20 0.53
▸ FLT3 P36888 4/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DYRK1A Q13627 4/20 0.51
▸ WNT1 P04628 1/20 0.51
▸ LCK P06239 3/20 0.48
▸ FYN P06241 3/20 0.48
▸ CSF1R P07333 3/20 0.48
▸ LYN P07948 3/20 0.48
▸ FLT1 P17948 3/20 0.48
▸ FLT4 P35916 3/20 0.48
▸ BLK P51451 3/20 0.48
▸ SRC P12931 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ CNR1 P21554 1/20 0.47

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
SCHEMBL26686115 1.00 JAK2 (0.57) JAK2KDRKITFLT3NPC1
SCHEMBL26686359 0.89 CNR1 (0.61) JAK2KDRKITFLT3NPC1
SCHEMBL30633323 0.89 CNR1 (0.61) JAK2KDRKITFLT3NPC1
SCHEMBL26685861 0.89 JAK2 (0.56) JAK2KDRKITFLT3NPC1
SCHEMBL30633352 0.89 JAK2 (0.56) JAK2KDRKITFLT3NPC1
SCHEMBL30633305 0.89 KDR (0.57) JAK2KDRKITFLT3NPC1
SCHEMBL26686045 0.89 KDR (0.57) JAK2KDRKITFLT3NPC1
SCHEMBL30633384 0.87 JAK2 (0.62) JAK2KDRKITFLT3DYRK1A
SCHEMBL26685947 0.87 JAK2 (0.62) JAK2KDRKITFLT3DYRK1A
SCHEMBL30633331 0.86 JAK2 (0.56) JAK2KDRDYRK1ACNR1PLK4

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 4 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
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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