SCHEMBL31364801

SCHEMBL31364801

COC(=O)c1cncc(N(C)C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
CYP2A6 P11509 1/20 0.41
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
PSMD14 O00487 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL29934024 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AIRAK4
SCHEMBL23501716 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AIRAK4
SCHEMBL3509627 0.81 ALDH1A1 (0.66) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL56951 0.75 ATM (0.77) ATMALDH1A1KDM4ECYP2A6CYP11B2
SCHEMBL3938222 0.74 ATM (0.56) ATMALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL2298745 0.73 ATM (0.74) ATMALDH1A1KDM4ECYP2A6CYP11B2
SCHEMBL26145001 0.72 SMN1; SMN2 (0.49) ATMALDH1A1KDM4EKMT2ANPC1
SCHEMBL17067735 0.72 ATM (0.57) ATMALDH1A1KDM4ECYP2A6CYP11B2
SCHEMBL27629733 0.70 HSD17B10 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL3715051 0.70 ATM (0.69) ATMALDH1A1KDM4ECYP2A6CYP11B2

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
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed