SCHEMBL30131385

SCHEMBL30131385

N#CCNC(=O)c1ncccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
CTSB P07858 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
FTO Q9C0B1 1/20 0.43
GRM1 Q13255 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MAPK8 P45983 1/20 0.39
CTSA P10619 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL30131372 0.86 ALDH1A1 (0.48) EGLN2FTOGRM1NPC1RAB9A
SCHEMBL30131408 0.83 NPC1 (0.47) EGLN2FTONPC1RAB9AALDH1A1
SCHEMBL10655393 0.81 KDM4E (0.56) EGLN1CTSBEGLN2FTOALDH1A1
SCHEMBL30131325 0.80 PDE4B (0.48) EGLN2FTONPC1RAB9APOLB
SCHEMBL30131499 0.79 EGLN2 (0.43) EGLN2FTOGRM1NPC1RAB9A
SCHEMBL29459608 0.78 POLB (0.47) EGLN2FTONPC1RAB9APOLB
SCHEMBL30131667 0.78 HPGD (0.56) NPC1RAB9AALDH1A1HPGDMEN1
SCHEMBL30131475 0.78 HPGD (0.60) NPC1RAB9AALDH1A1HPGD
SCHEMBL1507135 0.77 ALDH1A1 (0.45) GRM1NPC1RAB9AALDH1A1GAA
SCHEMBL31384297 0.77 P2RX7 (0.52) EGLN2FTONPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN claimed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO claimed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed