SCHEMBL25912707

SCHEMBL25912707

COC[C@@H](C)Nc1ncc(-c2ccc3cc(Oc4ccnc(NC(=O)OC(C)(C)C)c4)ccc3n2)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.40
▸ PDGFRB P09619 4/20 0.39
▸ CSF1R P07333 3/20 0.39
▸ PDGFRA P16234 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ KIT P10721 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ BRAF P15056 11/20 0.36
▸ FYN P06241 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.34
▸ RIOK2 Q9BVS4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL25910172 0.90 BRAF (0.45) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25910551 0.85 CSF1R (0.49) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25912706 0.83 CSF1R (0.43) PDGFRBCSF1RPDGFRALCKKIT
SCHEMBL25910279 0.83 CSF1R (0.43) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25910797 0.82 PDGFRB (0.39) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25912627 0.81 PDGFRB (0.46) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25910567 0.81 BRAF (0.42) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25909917 0.81 PDGFRB (0.52) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25910170 0.81 CSF1R (0.48) P2RX3PDGFRBCSF1RPDGFRALCK
SCHEMBL25910169 0.81 CSF1R (0.48) P2RX3PDGFRBCSF1RPDGFRALCK

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
WO-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 — — WO disclosed
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