SCHEMBL28772346

SCHEMBL28772346

Cc1cc(OC(N)=O)ccc1-c1cn(C)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 17/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ EIF2AK2 P19525 2/20 0.42
▸ EIF2AK1 Q9BQI3 2/20 0.42
▸ EGFR P00533 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ MET P08581 1/20 0.39
▸ AXL P30530 1/20 0.39

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
SCHEMBL22418477 0.84 TEK (0.52) EIF2AK3EGFRSRCFLT3MET
SCHEMBL20351734 0.80 SRC (0.49) EIF2AK3CYP3A4EIF2AK2EIF2AK1EGFR
SCHEMBL23043903 0.79 FLT3 (0.50) EIF2AK3CYP3A4EIF2AK2EIF2AK1EGFR
SCHEMBL23057572 0.78 FLT3 (0.44) EIF2AK3EGFRCDK1SRCFLT3
SCHEMBL29746667 0.78 FLT3 (0.44) EIF2AK3EGFRCDK1SRCFLT3
SCHEMBL30060901 0.75 FLT3 (0.56) EIF2AK3CDK1SRCFLT3MET
SCHEMBL29746671 0.75 MAPT (0.49) EIF2AK3EGFRSRCRIPK1
SCHEMBL23043988 0.75 MAPT (0.49) EIF2AK3EGFRSRCRIPK1
SCHEMBL23043916 0.74 FLT3 (0.55) EIF2AK3EGFRCDK1SRCFLT3
SCHEMBL29684025 0.74 FLT3 (0.55) EIF2AK3EGFRCDK1SRCFLT3

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
CN-114710956-A PERK-INHIBITING PYRROLOPYRIMIDINE COMPOUNDS 希伯塞尔股份有限公司 2022-07-05 — — CN claimed
CN-114710956-A PERK-INHIBITING PYRROLOPYRIMIDINE COMPOUNDS 希伯塞尔股份有限公司 2022-07-05 — — CN disclosed
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