SCHEMBL30345133

SCHEMBL30345133

[2H]c1n[nH]c2c1cnc1ccc(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRA5 P31644 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ EGFR P00533 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GABRA6 Q16445 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL30345168 0.87 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29254450 0.87 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29254435 0.70 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11338975 0.70 KDM4E (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13865282 0.66 POLB (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30951531 0.65 DYRK1A (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7028923 0.65 ALDH1A1 (0.70) EGFRKDM4ELMNAPOLBALDH1A1
SCHEMBL29853535 0.64 NPC1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21461956 0.64 NOS1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9156972 0.63 ALDH1A1 (0.62) EGFRKDM4ELMNAPOLBALDH1A1

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
EP-4416146-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-C] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF Lomond Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064133-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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