SCHEMBL31111372

SCHEMBL31111372

N#Cc1c(Cl)ncc(CNCCO)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.39
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
UPP1 Q16831 1/20 0.36
PDCD1 Q15116 5/20 0.36
ALDH1A1 P00352 1/20 0.35
STAT3 P40763 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
PNP P00491 1/20 0.33

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
SCHEMBL20564464 1.00 CD274 (0.39) CD274PDCD1LG2CYP1A2CYP2D6UPP1
SCHEMBL846332 0.80 PDXK (0.36) ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL845675 0.72
SCHEMBL22743865 0.68 CD274 (0.47) CD274PDCD1LG2PDCD1ALDH1A1KMT2A
SCHEMBL31111404 0.66 KMT2A (0.34) ALDH1A1KMT2ANPSR1SMN1; SMN2MAPK1
SCHEMBL8544979 0.66 KMT2A (0.34) ALDH1A1KMT2ANPSR1SMN1; SMN2MAPK1
SCHEMBL17748267 0.66 CD274 (0.38) CD274PDCD1LG2CYP1A2CYP2D6PDCD1
SCHEMBL20565231 0.66 CD274 (0.42) CD274PDCD1LG2CYP1A2CYP2D6PDCD1
SCHEMBL16176829 0.65 PDE5A (0.38) ALDH1A1SMN1; SMN2
SCHEMBL6101102 0.65 KMT2A (0.42) CD274PDCD1LG2CYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed