SCHEMBL30880527

SCHEMBL30880527

COc1cc(Nc2ccnc3cc(OC)c(C(N)=O)cc23)cc(OC[C@H]2CCOC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.54
▸ PDGFRA P16234 2/20 0.44
▸ RET P07949 9/20 0.44
▸ RIPK2 O43353 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ MAP2K5 Q13163 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ STK10 O94804 1/20 0.43
▸ MAP3K6 O95382 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ TBXA2R P21731 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
SCHEMBL30880699 0.89 GAK (0.53) IRAK4PDGFRARIPK2ABL1KDR
SCHEMBL29186540 0.87 IRAK4 (0.61) IRAK4PDGFRARETRIPK2ABL1
SCHEMBL30880495 0.82 GAK (0.53) IRAK4RIPK2ABL1KDRMAP2K5
SCHEMBL30880690 0.81 HTT (0.52) IRAK4RIPK2EGFRGAKCOQ8A
SCHEMBL30880652 0.80 PDGFRA (0.49) PDGFRARETRIPK2ABL1KDR
SCHEMBL30880528 0.80 GAK (0.53) IRAK4RIPK2ABL1MAP2K5EGFR
SCHEMBL30880586 0.80 GAK (0.53) RIPK2ABL1MAPKAPK2GAKEPHB6
SCHEMBL30880612 0.80 GAK (0.53) IRAK4RIPK2ABL1PDGFRBPTK6
SCHEMBL30880630 0.80 MAPK10 (0.51) PDGFRARIPK2ABL1KDRMAP2K5
SCHEMBL30880638 0.79 PDGFRA (0.46) PDGFRARETRIPK2ABL1KDR

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
WO-2024078513-A1 CONDENSED AZINES FOR TREATING CANCER CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) 2024-04-18 — — WO disclosed
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