SCHEMBL31540949

SCHEMBL31540949

O=C(Nc1ccc(F)cc1)N(Cc1ccn2nccc2c1)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.45
UBE2M P61081 10/20 0.44
DCUN1D1 Q96GG9 10/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NTRK1 P04629 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
LMNA P02545 1/20 0.42
ROCK2 O75116 1/20 0.41
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL31540945 0.90 UBE2M (0.48) TP53ALDH1A1UBE2MDCUN1D1NTRK1
SCHEMBL31540951 0.87 UBE2M (0.51) TP53ALDH1A1UBE2MDCUN1D1NTRK1
SCHEMBL31540941 0.87 NTRK1 (0.58) TP53UBE2MDCUN1D1NTRK1
SCHEMBL31540958 0.87 UBE2M (0.46) TP53ALDH1A1UBE2MDCUN1D1MEN1
SCHEMBL31540959 0.86 NTRK1 (0.57) TP53UBE2MDCUN1D1NTRK1
SCHEMBL31540943 0.85 NTRK1 (0.57) TP53ALDH1A1UBE2MDCUN1D1NTRK1
SCHEMBL31540950 0.85 NTRK1 (0.57) TP53ALDH1A1UBE2MDCUN1D1NTRK1
SCHEMBL31540948 0.85 DCUN1D1 (0.58) UBE2MDCUN1D1
SCHEMBL30720344 0.84 NTRK1 (0.61) TP53UBE2MDCUN1D1NTRK1ROCK2
SCHEMBL31540936 0.82 DCUN1D1 (0.47) TP53ALDH1A1UBE2MDCUN1D1MEN1

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