SCHEMBL25910429

SCHEMBL25910429

Nc1cc(Oc2ccc3nc(-c4cnc5n(c4=O)CCCN5)ccc3c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SCN9A Q15858 11/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ SCN7A Q01118 7/20 0.32
▸ KCNH2 Q12809 7/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGA2B P08514 1/20 0.31

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
SCHEMBL25913040 0.89 KDM4E (0.38) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL25910295 0.84 SCN9A (0.34) PDE3BPDE3ASCN9ASCN10A
SCHEMBL25910411 0.84 PDGFRB (0.45) —
SCHEMBL25910179 0.78 CSF1R (0.37) SCN9ASCN7AKCNH2
SCHEMBL25910028 0.75 CSF1R (0.53) SCN9A
SCHEMBL25910294 0.73 CSF1R (0.55) SCN9ASCN10A
SCHEMBL25910288 0.73 CSF1R (0.41) ALDH1A1POLBHSD17B10
SCHEMBL25910409 0.72 CSF1R (0.56) KDM4EALDH1A1PDE3BPDE3A
SCHEMBL25910291 0.71 CSF1R (0.52) SCN9A
SCHEMBL25913215 0.70 SCN7A (0.31) SCN9ASCN7AKCNH2

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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