SCHEMBL31037261

SCHEMBL31037261

CC(C)(C)OC(=O)NC1CCCN(c2ccc(N)cc2C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.41
▸ F10 P00742 1/20 0.40
▸ BTK Q06187 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RET P07949 1/20 0.39
▸ AURKA O14965 3/20 0.39
▸ PDPK1 O15530 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ BMPR1A P36894 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL31037458 0.93 MAP4K4 (0.36) MAP4K4F10BTKJAK3HRH3
SCHEMBL31037304 0.89 ALDH1A1 (0.43) F10BTKJAK3CD274NPSR1
SCHEMBL31744282 0.86 CD274 (0.41) F10BTKJAK3CD274RET
SCHEMBL31037341 0.83 USP30 (0.40) MAP4K4HRH3CD274BMPR1BBMPR1A
SCHEMBL31037278 0.81 NAMPT (0.40) BTKJAK3CD274RET
SCHEMBL31037452 0.81 ALDH1A1 (0.35) F10BTKJAK3NPSR1USP2
SCHEMBL31037277 0.76 CYP2D6 (0.47) BTKJAK3HRH3CD274NPSR1
SCHEMBL31037334 0.74 BMPR1B (0.46) HRH3CD274NPSR1ALDH1A1BMPR1B
SCHEMBL31037273 0.73 DRD2 (0.48) CD274GLAL3MBTL1DRD2DRD4
SCHEMBL4564337 0.72 BTK (0.53) MAP4K4F10BTKJAK3RET

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
Send feedback