SCHEMBL30784253

SCHEMBL30784253

COc1ccc2c(=O)[nH]c(N3CCOCC3)nc2c1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38

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
SCHEMBL30784355 0.82 PIM1 (0.50) HPGDMAPK1NPSR1KMT2ATNKS
SCHEMBL30783824 0.82 TNKS (0.42) HPGDMAPK1NPSR1KMT2ATNKS
SCHEMBL30784435 0.80 PIK3CA (0.46) HSD17B10AKT1ALDH1A1PIK3CDPIK3CA
SCHEMBL30784371 0.79 PRKDC (0.38) HPGDMAPK1NPSR1KMT2ATNKS
SCHEMBL4985818 0.74 SMN1; SMN2 (0.44) HPGDMAPK1NPSR1KMT2ATNKS
SCHEMBL30783864 0.73 KMT2A (0.44) HPGDMAPK1NPSR1KMT2AMEN1
SCHEMBL27167464 0.72 SMN1; SMN2 (0.55) HPGDKMT2AMEN1TSHRHSD17B10
SCHEMBL30054892 0.72 SMN1; SMN2 (0.55) HPGDKMT2AMEN1TSHRHSD17B10
SCHEMBL30784542 0.72 HTR3A (0.43) HPGDMAPK1NPSR1KMT2AMEN1
SCHEMBL4981345 0.66 TSHR (0.45) HPGDMAPK1NPSR1KMT2AMEN1

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-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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