SCHEMBL31375166

SCHEMBL31375166

Cc1cc(N)c2cccnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
NR4A2 P43354 3/20 0.49
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 3/20 0.43
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.41
CASP1 P29466 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
SCHEMBL14227400 0.81 CYP1A2 (0.52) KDM4EHSP90AA1TDP1ALDH1A1HPGD
SCHEMBL8626651 0.81 HSP90AA1 (0.46) NR4A2KDM4EHSP90AA1HSP90AB1ALDH1A1
SCHEMBL12424714 0.79 ADORA2A (0.48) NCF1NR4A2ADORA2AADORA1KDM4E
SCHEMBL13968415 0.78 HTT (0.44) KDM4EHSP90AA1HSP90AB1LMNARAB9A
SCHEMBL20468588 0.78 ALDH1A1 (0.43) KDM4EHSP90AA1TDP1ALDH1A1HPGD
SCHEMBL13968416 0.78 MAPT (0.49) NR4A2ADORA1KDM4EHSP90AA1TDP1
SCHEMBL31354830 0.78 HSP90AA1 (0.43) KDM4EHSP90AA1TDP1ALDH1A1SMN1; SMN2
SCHEMBL28183220 0.77 HSP90AA1 (0.40) NCF1NR4A2HSP90AA1HSP90AB1HPGD
SCHEMBL13622758 0.76 ADORA1 (0.64) NCF1NR4A2ADORA2AADORA1KDM4E
SCHEMBL20009341 0.75 PIP4K2C (0.40) KDM4EHSP90AA1ALDH1A1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 CN claimed