SCHEMBL31540948

SCHEMBL31540948

O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccn2nccc2c1)C1CCC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 20/20 0.58
UBE2M P61081 17/20 0.58

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
SCHEMBL31540949 0.85 TP53 (0.47) DCUN1D1UBE2M
SCHEMBL31540941 0.84 NTRK1 (0.58) DCUN1D1UBE2M
SCHEMBL31540959 0.83 NTRK1 (0.57) DCUN1D1UBE2M
SCHEMBL31540945 0.83 UBE2M (0.48) DCUN1D1UBE2M
SCHEMBL31540936 0.82 DCUN1D1 (0.47) DCUN1D1UBE2M
SCHEMBL31540943 0.82 NTRK1 (0.57) DCUN1D1UBE2M
SCHEMBL31540950 0.82 NTRK1 (0.57) DCUN1D1UBE2M
SCHEMBL30720344 0.81 NTRK1 (0.61) DCUN1D1UBE2M
SCHEMBL31540951 0.80 UBE2M (0.51) DCUN1D1UBE2M
SCHEMBL31540958 0.80 UBE2M (0.46) DCUN1D1UBE2M

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
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN claimed
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN disclosed