SCHEMBL29535263

SCHEMBL29535263

COc1ccccc1-c1[nH]c2cnc(Cl)cc2c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
IMPDH2 P12268 3/20 0.46
GABRP O00591 4/20 0.46
GABRD O14764 4/20 0.46
GABRA1 P14867 4/20 0.46
GABRB1 P18505 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRA4 P48169 4/20 0.46
GABRE P78334 4/20 0.46
GABRA6 Q16445 4/20 0.46
GABRG1 Q8N1C3 4/20 0.46
GABRG3 Q99928 4/20 0.46
GABRQ Q9UN88 4/20 0.46
SQOR Q9Y6N5 1/20 0.41
PDE9A O76083 1/20 0.41

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
SCHEMBL24343867 1.00 PDE10A (0.47) PDE10AIMPDH2GABRPGABRDGABRA1
SCHEMBL24344158 0.83 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29534384 0.83 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29534435 0.76 TUBB4A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24343894 0.76 TUBB4A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24343875 0.74 CYP11B2 (0.40) SQORHTTKDM4EALDH1A1HPGD
SCHEMBL29534909 0.74 CYP11B2 (0.40) SQORHTTKDM4EALDH1A1HPGD
SCHEMBL24343830 0.70 KDM4E (0.61) IMPDH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29534260 0.70 KDM4E (0.61) IMPDH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26351986 0.70 TLR9 (0.45) 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