SCHEMBL29534384

SCHEMBL29534384

COc1ccccc1-c1[nH]c2cnc(Cl)cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.50
GABRD O14764 3/20 0.50
GABRA1 P14867 3/20 0.50
GABRB1 P18505 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRA4 P48169 3/20 0.50
GABRE P78334 3/20 0.50
GABRA6 Q16445 3/20 0.50
GABRG1 Q8N1C3 3/20 0.50
GABRG3 Q99928 3/20 0.50
GABRQ Q9UN88 3/20 0.50
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
TUBB4A P04350 1/20 0.43

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
SCHEMBL24344158 1.00 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29534435 0.90 TUBB4A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24343894 0.90 TUBB4A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26351986 0.87 TLR9 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29535263 0.83 PDE10A (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24343867 0.83 PDE10A (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24344152 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29534562 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29395903 0.80 CCNB2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26071941 0.80 CCNB2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 CN disclosed
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed