SCHEMBL29933995

SCHEMBL29933995

OCc1cncc(-n2nccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
CYP11B2 P19099 6/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP11B1 P15538 4/20 0.33
RIPK2 O43353 1/20 0.33
ACHE P22303 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PRKCI P41743 1/20 0.31
AR P10275 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL16419692 1.00 CYP2A6 (0.36) CYP2A6CYP11B2HCRTR1HCRTR2CYP11B1
SCHEMBL17800147 0.85 NOTUM (0.36) HCRTR1HCRTR2RIPK2SCN10A
SCHEMBL16419708 0.81
SCHEMBL17819625 0.75 KDM4E (0.44) RIPK2KDM4E
SCHEMBL29464651 0.74 CHRNB2 (0.42) KDM4E
SCHEMBL2728918 0.73 CYP2A6 (0.47) CYP2A6CYP11B2CYP11B1ACHEKDM4E
SCHEMBL2130992 0.73 CFTR (0.49) CYP11B2HCRTR1HCRTR2CYP11B1PRKCI
SCHEMBL17819718 0.73 VHL (0.52) CYP2A6CYP11B2CYP11B1RIPK2KDM4E
SCHEMBL17781409 0.73 CYP2A6 (0.46) CYP2A6CYP11B2CYP11B1RIPK2KDM4E
SCHEMBL17819393 0.73 CYP3A4 (0.47) CYP2A6CYP11B2CYP11B1MKNK1MKNK2

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-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed