SCHEMBL27315108

SCHEMBL27315108

CC(C)c1cc(C(=O)O)c2c(N)ncnn12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.57
▸ NTRK2 Q16620 3/20 0.53
▸ ACVRL1 P37023 3/20 0.51
▸ RET P07949 5/20 0.47
▸ KDR P35968 4/20 0.47
▸ CSNK2A2 P19784 7/20 0.38
▸ CSNK2A1 P68400 7/20 0.38
▸ FGFR1 P11362 1/20 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
SCHEMBL27315059 0.86 NTRK1 (0.56) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL12537191 0.84 NTRK1 (0.42) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL13869025 0.82 NTRK1 (0.50) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL12537587 0.80 NTRK1 (0.73) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL12537650 0.80 NTRK1 (0.58) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL14651915 0.79 NTRK1 (0.38) NTRK1NTRK2ACVRL1CSNK2A2CSNK2A1
SCHEMBL12283438 0.79 NTRK1 (0.38) NTRK1NTRK2ACVRL1CSNK2A2CSNK2A1
SCHEMBL14488780 0.78 ACVRL1 (0.52) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL26690322 0.78 ACVRL1 (0.52) NTRK1NTRK2ACVRL1RETKDR
SCHEMBL15932552 0.78 ACVRL1 (0.52) NTRK1NTRK2ACVRL1RETKDR

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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