SCHEMBL25912751

SCHEMBL25912751

COc1nc(NC2CC2)ncc1-c1ccc2cc(Oc3ccnc(Br)c3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PIK3C3 Q8NEB9 5/20 0.35
▸ MAPK6 Q16659 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ BRAF P15056 2/20 0.35
▸ EIF2AK2 P19525 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ MAPK10 P53779 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
SCHEMBL30467033 0.85 BRAF (0.35) MAPK8IRAK4BRAFCSF1RPDGFRB
SCHEMBL25913001 0.85 BRAF (0.35) MAPK8IRAK4BRAFCSF1RPDGFRB
SCHEMBL25914331 0.82 DYRK1A (0.35) IRAK4BRAF
SCHEMBL25912757 0.81 P2RX3 (0.36) MAPK8GSK3BMAPK6IRAK4BRAF
SCHEMBL25912755 0.80 MAPK8 (0.42) MAPK8CDK4GSK3BPIK3C3MAPK6
SCHEMBL25911299 0.71 CSF1R (0.52) CSF1RPDGFRB
SCHEMBL25913590 0.70 CSF1R (0.43) BRAFCSF1RPDGFRBMAPK10
SCHEMBL25912909 0.70 PDGFRB (0.50) BRAFCSF1RPDGFRBMAPK10
SCHEMBL25913399 0.69 CSF1R (0.39) BRAFCSF1RPDGFRB
SCHEMBL16046266 0.69 CSF1R (0.69) CSF1RPDGFRB

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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