SCHEMBL30054773

SCHEMBL30054773

Nc1ncnc2c1c(I)cn2C1CCC(C=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 1/20 0.52
▸ SRC P12931 3/20 0.50
▸ MTOR P42345 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ADK P55263 10/20 0.49
▸ ABL1 P00519 3/20 0.47
▸ RET P07949 2/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ LTK P29376 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAP2K2 P36507 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
SCHEMBL23834528 1.00 HASPIN (0.52) HASPINSRCMTORRAB9AADK
SCHEMBL16237288 0.89 SRC (0.59) SRCMTORRAB9AADKABL1
SCHEMBL23703132 0.88 MTOR (0.54) HASPINSRCMTORRAB9AADK
SCHEMBL23703131 0.88 MTOR (0.54) HASPINSRCMTORRAB9AADK
SCHEMBL1933267 0.84 RIPK2 (0.63) SRCMTORRAB9AADKABL1
SCHEMBL1933264 0.84 RIPK2 (0.63) SRCMTORRAB9AADKABL1
SCHEMBL1940882 0.84 ABL1 (0.64) SRCMTORRAB9AADKABL1
SCHEMBL30155310 0.84 ABL1 (0.64) SRCMTORRAB9AADKABL1
SCHEMBL400626 0.84 SRC (0.61) SRCMTORRAB9AADKABL1
SCHEMBL29484468 0.84 SRC (0.61) SRCMTORRAB9AADKABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298180-B Compounds for treating or inhibiting recurrence of acute myeloid leukemia 日本理化学研究所 2025-06-10 — — CN disclosed
EP-4121430-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA Flash Therapeuttics, LLC (US) 2023-01-25 — — EP disclosed
CN-115298180-A Compounds for treating or inhibiting recurrence of acute myeloid leukemia 富雷旭医疗有限责任公司 2022-11-04 — — CN disclosed
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