SCHEMBL7674927

SCHEMBL7674927

COc1ccc(C2NC(=O)c3ccccc3N2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 8/20 1.00
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPT P10636 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 1/20 0.68
TNKS O95271 2/20 0.66
PARP3 Q9Y6F1 2/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
PBRM1 Q86U86 1/20 0.64
GAA P10253 1/20 0.60
EGFR P00533 1/20 0.59

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
SCHEMBL29913510 1.00 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7672910 0.86 TNKS2 (0.76) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL21891264 0.85 MEN1 (0.74) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2821455 0.84 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL27925494 0.84 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL27925475 0.84 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29913643 0.82 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5248973 0.81 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29913499 0.81 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL30257239 0.81 ALDH1A1 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160235-B 2, 3-dihydro-quinazoline-4 (1H) -ketone compound and ultrasonic synthesis method thereof 宜宾学院 2023-12-15 CN disclosed
CN-115160235-A 2, 3-dihydroquinazoline-4 (1H) -ketone compound and ultrasonic synthesis method thereof 宜宾学院 2022-10-11 CN disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed