SCHEMBL27315622

SCHEMBL27315622

COCc1ccc(NC(=O)c2c(-c3ccc(-[n+]4cnn5c(C(C)C)cc(C(=O)Nc6ccc7c(c6)COC7)c5c4N)cc3)c(C(C)C)n3ncnc(N)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ RET P07949 17/20 0.36

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
SCHEMBL27315191 0.76 RET (0.51) NTRK1NTRK2RET
SCHEMBL27315205 0.76 NTRK1 (0.54) NTRK1NTRK2RET
SCHEMBL27315615 0.76 NTRK1 (0.58) NTRK1NTRK2RET
SCHEMBL27315617 0.74 NTRK1 (0.43) NTRK1NTRK2RET
SCHEMBL27315219 0.74 RET (0.54) NTRK1NTRK2RET
SCHEMBL27315613 0.70 RET (0.50) RET
SCHEMBL27394822 0.66 RET (0.57) RET
SCHEMBL27315227 0.66 NTRK1 (0.55) NTRK1NTRK2RET
SCHEMBL27315170 0.65 NTRK1 (0.57) NTRK1NTRK2RET
SCHEMBL27315176 0.65 NTRK1 (0.55) NTRK1NTRK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097980-A1 RET-LDD PROTEIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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