SCHEMBL29097555

SCHEMBL29097555

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(CN2CCC(C)(OC(N)=O)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ ALK Q9UM73 8/20 0.53
▸ INSR P06213 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ TNK2 Q07912 1/20 0.52

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
SCHEMBL30621968 0.88 EGFR (0.59) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL29097707 0.88 EGFR (0.59) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL29097715 0.87 SLC2A1 (0.51) EGFRMAP3K7ALKSRC
SCHEMBL31318199 0.84 ALK (0.54) EGFRMAP3K7ALKJAK3
SCHEMBL29097720 0.83 EGFR (0.51) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL29097557 0.82 EGFR (0.54) EGFRALKINSRIGF1RJAK2
SCHEMBL18491223 0.76 EGFR (0.73) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL886288 0.74 ALK (0.73) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL27057252 0.73 PLK1 (0.68) EGFRMAP3K7ALKINSRIGF1R
SCHEMBL16371969 0.73 ALK (0.77) EGFRMAP3K7ALKINSRIGF1R

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-116903592-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-10-20 — — CN disclosed
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