SCHEMBL27315170

SCHEMBL27315170

COc1ccc(NC(=O)c2cc(C(C)C)n3ncnc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.57
▸ NTRK2 Q16620 4/20 0.56
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDR P35968 2/20 0.44
▸ RET P07949 1/20 0.44
▸ AXL P30530 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ RIPK1 Q13546 2/20 0.43
▸ AURKA O14965 3/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ PTPN11 Q06124 1/20 0.43

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
SCHEMBL27315615 0.87 NTRK1 (0.58) NTRK1NTRK2RET
SCHEMBL27315227 0.84 NTRK1 (0.55) NTRK1NTRK2MAPK1KDRRET
SCHEMBL1926377 0.83 NTRK1 (0.85) NTRK1NTRK2RAB9ANPC1MEN1
SCHEMBL27315176 0.83 NTRK1 (0.55) NTRK1NTRK2RAB9ANPC1MEN1
SCHEMBL27315205 0.80 NTRK1 (0.54) NTRK1NTRK2MAPK1KDRRET
SCHEMBL27315059 0.80 NTRK1 (0.56) NTRK1NTRK2KDRRETAURKA
SCHEMBL27315108 0.77 NTRK1 (0.57) NTRK1NTRK2KDRRETFGFR1
SCHEMBL708688 0.74 AURKB (0.74) NTRK1NTRK2RAB9ANPC1PKM
SCHEMBL1924757 0.73 NTRK1 (1.00) NTRK1NTRK2MEN1KMT2AMAPK1
SCHEMBL1924006 0.73 NTRK2 (1.00) NTRK1NTRK2RAB9ANPC1MEN1

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-4611900-A1 RET-LDD PROTEIN INHIBITORS Bristol-Myers Squibb Company (US) 2025-09-10 — — EP disclosed
WO-2024097980-A1 RET-LDD PROTEIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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