SCHEMBL30405629

SCHEMBL30405629

CCCCOC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.54
▸ SRC P12931 4/20 0.54
▸ LCK P06239 3/20 0.54
▸ KDR P35968 2/20 0.54
▸ CDC7 O00311 1/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ DYRK3 O43781 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ RET P07949 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ FER P16591 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ MARK3 P27448 1/20 0.54

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
SCHEMBL30353312 0.87 JAK3 (0.50) JAK2LCKJAK3JAK1FGFR2
SCHEMBL30405165 0.83 FGFR1 (0.49) JAK2JAK3JAK1FGFR2FGFR1
SCHEMBL29503478 0.82 SRC (0.58) JAK2SRCLCKKDRCDC7
SCHEMBL2965560 0.82 SRC (0.58) JAK2SRCLCKKDRCDC7
SCHEMBL5821932 0.82 JAK2 (0.53) JAK2SRCLCKKDRCDC7
SCHEMBL29845637 0.81 JAK2 (0.55) JAK2SRCLCKKDRPLK4
SCHEMBL12253480 0.81 JAK2 (0.66) JAK2SRCLCKKDRCDC7
SCHEMBL5802940 0.81 JAK2 (0.60) JAK2SRCLCKKDRCDC7
SCHEMBL5802174 0.80 JAK2 (0.67) JAK2SRCLCKKDRCDC7
SCHEMBL30561442 0.79 ADK (0.46) JAK2SRCLCKKDRCDC7

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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