SCHEMBL28057872

SCHEMBL28057872

CNc1ncnc2c1c(I)cn2-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ ADK P55263 3/20 0.42
▸ LMNA P02545 2/20 0.38
▸ PDE11A Q9HCR9 4/20 0.36
▸ TP53 P04637 3/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ GRM1 Q13255 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PTBP1 P26599 1/20 0.33

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
SCHEMBL28057759 0.85 EGFR (0.53) EGFRSRCADKLMNATP53
SCHEMBL22032001 0.78 SRC (0.50) EGFRSRCADKLMNAPDE11A
SCHEMBL16236616 0.78 SRC (0.50) EGFRSRCADK
SCHEMBL29484487 0.78 SRC (0.50) EGFRSRCADK
SCHEMBL25388583 0.74 YTHDC1 (0.49) EGFRSRCADKLMNATP53
SCHEMBL29588944 0.71 ADK (0.45) EGFRSRCADKYTHDC1PDE2A
SCHEMBL17818402 0.71 ADK (0.45) EGFRSRCADKYTHDC1PIK3CD
SCHEMBL27890208 0.69 ADK (0.55) EGFRSRCADKYTHDC1
SCHEMBL30813639 0.68 PDPK1 (0.33) LMNAGRM1
SCHEMBL22086072 0.68 SRC (0.53) SRCLMNATP53MAPTGAA

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-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 — — CN disclosed
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