SCHEMBL30813445

SCHEMBL30813445

CC(C)(C)CC(C)(C)OC(=O)N(C(=O)O)c1ncnc2c1c(-c1ccc(N)c3nccn13)cn2C1CC1.Nc1ncnc2c1c(-c1ccc(N)c3nccn13)cn2C1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 5/20 0.41
▸ SRC P12931 11/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 3/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ RET P07949 1/20 0.39
▸ KIF5B P33176 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CCDC6 Q16204 1/20 0.39

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
SCHEMBL27217886 0.89 SRC (0.41) RIPK2SRCEGFRRETKIF5B
SCHEMBL27217844 0.86 SRC (0.40) RIPK2SRCEGFR
SCHEMBL30813564 0.85 SRC (0.41) RIPK2SRCEGFRRETKIF5B
SCHEMBL27217745 0.82 SRC (0.38) SRCEGFR
SCHEMBL30813574 0.82 SRC (0.40) RIPK2SRCEGFR
SCHEMBL27217970 0.82 SRC (0.40) RIPK2SRCEGFR
SCHEMBL27217994 0.81 SRC (0.44) SRCEGFR
SCHEMBL27217748 0.80 SRC (0.46) RIPK2SRCEGFR
SCHEMBL30813442 0.79 SRC (0.49) SRCEGFR
SCHEMBL27217705 0.79 SRC (0.49) SRCEGFR

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
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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