SCHEMBL30621968

SCHEMBL30621968

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.59
▸ ALK Q9UM73 8/20 0.57
▸ JAK2 O60674 3/20 0.57
▸ SRC P12931 3/20 0.57
▸ TNK2 Q07912 3/20 0.57
▸ INSR P06213 4/20 0.55
▸ IGF1R P08069 3/20 0.55
▸ TTK P33981 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53

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
SCHEMBL29097707 1.00 EGFR (0.59) EGFRALKJAK2SRCTNK2
SCHEMBL29097555 0.88 EGFR (0.54) EGFRALKJAK2SRCTNK2
SCHEMBL29097557 0.85 EGFR (0.54) EGFRALKJAK2SRCTNK2
SCHEMBL31318199 0.84 ALK (0.54) EGFRALKMAP3K7
SCHEMBL30621972 0.84 ALK (0.57) ALKJAK2SRCTNK2IGF1R
SCHEMBL29097716 0.84 ALK (0.57) ALKJAK2SRCTNK2IGF1R
SCHEMBL29097720 0.84 EGFR (0.51) EGFRALKJAK2SRCTNK2
SCHEMBL18491223 0.80 EGFR (0.73) EGFRALKJAK2SRCTNK2
SCHEMBL29791446 0.76 EGFR (0.63) EGFRALKJAK2SRCTNK2
SCHEMBL20398846 0.75 ALK (0.75) EGFRALKJAK2SRCTNK2

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
WO-2025011447-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 — — WO disclosed
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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