SCHEMBL25363387

SCHEMBL25363387

Cc1cc(Br)c2nc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 14/20 0.58
▸ TNKS2 Q9H2K2 14/20 0.58
▸ PARP1 P09874 7/20 0.58
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ PARP2 Q9UGN5 5/20 0.51
▸ CYP1A1 P04798 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ GUSB P08236 1/20 0.46

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
SCHEMBL27961710 0.86 TNKS (0.55) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL11826929 0.77 TNKS (0.70) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL30494981 0.75 PARP1 (0.49) TNKSTNKS2PARP1PARP2ALDH1A1
SCHEMBL25359756 0.75 PARP1 (0.49) TNKSTNKS2PARP1PARP2ALDH1A1
SCHEMBL15775476 0.74 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL30721036 0.73 HTR3A (0.41) PARP1RAB9APOLBKDM4EALDH1A1
SCHEMBL27385186 0.73 HTR3A (0.41) PARP1RAB9APOLBKDM4EALDH1A1
SCHEMBL25361605 0.72 PARP1 (0.46) TNKS2PARP1PARP2ALDH1A1MAPT
SCHEMBL31163543 0.72 PARP1 (0.50) TNKSTNKS2PARP1RAB9ANPC1
SCHEMBL30495202 0.72 PARP1 (0.46) TNKS2PARP1PARP2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
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