SCHEMBL29097552

SCHEMBL29097552

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(N2CCC(C)(NS(=O)(=O)C3CC3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.57
▸ ALK Q9UM73 8/20 0.55
▸ INSR P06213 3/20 0.53
▸ IGF1R P08069 3/20 0.53
▸ MAPK7 Q13164 2/20 0.52
▸ LRRK2 Q5S007 2/20 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
SCHEMBL29097557 0.88 EGFR (0.54) EGFRALKINSRIGF1RJAK2
SCHEMBL29097718 0.87 BRD4 (0.59) EGFRALKJAK2SRCTNK2
SCHEMBL18491223 0.75 EGFR (0.73) EGFRALKINSRIGF1RJAK2
SCHEMBL29097550 0.75 BRD4 (0.56) EGFRALKJAK2SRCTNK2
SCHEMBL29097714 0.74 ABL1 (0.39) —
SCHEMBL30621965 0.74 ABL1 (0.39) —
SCHEMBL24255898 0.73 EGFR (0.80) EGFRALKINSRIGF1RLRRK2
SCHEMBL30123962 0.73 EGFR (0.77) EGFRALKINSRIGF1RMAPK7
SCHEMBL24256003 0.73 EGFR (0.69) EGFRALKINSRIGF1RJAK2
SCHEMBL26451583 0.73 EGFR (0.77) EGFRALKINSRIGF1RMAPK7

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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