SCHEMBL30615420

SCHEMBL30615420

CN(C)[C@H]1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.46
▸ TNKS O95271 1/20 0.45
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ ATR Q13535 2/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42

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
SCHEMBL21463400 1.00 MCHR1 (0.46) MCHR1TNKSPDGFRBFGFR1KDR
SCHEMBL21463402 1.00 MCHR1 (0.46) MCHR1TNKSPDGFRBFGFR1KDR
SCHEMBL30615332 0.84 TNKS (0.45) MCHR1TNKS
SCHEMBL30615602 0.84 TNKS (0.45) MCHR1TNKS
SCHEMBL21464096 0.84 TNKS (0.45) MCHR1TNKS
SCHEMBL21464106 0.84 TNKS (0.45) MCHR1TNKS
SCHEMBL21464095 0.84 TNKS (0.45) MCHR1TNKS
SCHEMBL28488291 0.80 TNKS (0.48) TNKSPIK3CA
SCHEMBL28495324 0.79 TNKS (0.48) TNKSFGFR1
SCHEMBL28488276 0.79 TNKS (0.48) TNKS

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-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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