SCHEMBL29847728

SCHEMBL29847728

CN(C)CCOc1ccnc(-c2cccc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AIMP2 Q13155 1/20 0.40
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ SMG1 Q96Q15 1/20 0.38
▸ ZAP70 P43403 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ SRC P12931 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ BRAF P15056 3/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AXL P30530 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL16514000 1.00 AIMP2 (0.40) AIMP2FGFR2FGFR3MTORSMG1
SCHEMBL16515085 0.91 JAK2 (0.44) FGFR3CDK4CDK2GSK3BSRC
SCHEMBL29848007 0.91 JAK2 (0.44) FGFR3CDK4CDK2GSK3BSRC
SCHEMBL29847783 0.90 AIMP2 (0.48) AIMP2FGFR2FGFR3SRCBACE1
SCHEMBL16823084 0.90 AIMP2 (0.48) AIMP2FGFR2FGFR3SRCBACE1
SCHEMBL16514433 0.90 AXL (0.38) AIMP2FGFR2FGFR3MTORCDK4
SCHEMBL16513558 0.90 AIMP2 (0.42) AIMP2FGFR2FGFR3MTORSMG1
SCHEMBL16513725 0.88 MTOR (0.41) AIMP2FGFR2FGFR3MTORCDK4
SCHEMBL29847963 0.88 FGFR2 (0.42) AIMP2FGFR2FGFR3MTORSMG1
SCHEMBL16822852 0.88 FGFR2 (0.42) AIMP2FGFR2FGFR3MTORSMG1

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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