SCHEMBL29944932

SCHEMBL29944932

N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 19/20 1.00
MAPK13 O15264 2/20 1.00
MAPK12 P53778 2/20 1.00
MAPK11 Q15759 2/20 1.00
MAPK14 Q16539 2/20 1.00
EIF2AK2 P19525 1/20 1.00
SRC P12931 2/20 0.62
PRKD3 O94806 1/20 0.62
PRKCG P05129 1/20 0.62
PRKCB P05771 1/20 0.62
PRKCA P17252 1/20 0.62
PRKCH P24723 1/20 0.62
PRKCI P41743 1/20 0.62
PRKCE Q02156 1/20 0.62
MAP2K1 Q02750 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCZ Q05513 1/20 0.62
PRKCD Q05655 1/20 0.62
PRKD1 Q15139 1/20 0.62

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
SCHEMBL2369872 1.00 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL30264449 1.00 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118168 0.92 MAP3K8 (0.85) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118384 0.92 MAP3K8 (0.85) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4776035 0.91 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL27730160 0.90 MAP3K8 (0.85) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4904414 0.90 MAP3K8 (0.82) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4963305 0.90 MAP3K8 (0.83) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4766912 0.89 MAP3K8 (0.79) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4769727 0.88 MAP3K8 (0.79) MAP3K8MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126310-A1 COMPOSITIONS FOR CORONAVIRUS INFECTION TREATMENT AND/OR PREVENTION FRAUNHOFER GES FORSCHUNG (DE) 2023-04-27 US disclosed
US-20220362329-A1 TREATING ACUTE LIVER DISEASE WITH TLR-MIK INIHIBITORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-11-17 US disclosed