SCHEMBL25033277

SCHEMBL25033277

CC(C)NC1CCN(CCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.47
▸ FYN P06241 8/20 0.47
▸ ABL1 P00519 8/20 0.47
▸ YES1 P07947 7/20 0.47
▸ FGR P09769 7/20 0.47
▸ RET P07949 6/20 0.47
▸ FRK P42685 6/20 0.47
▸ LCK P06239 5/20 0.47
▸ LYN P07948 5/20 0.47
▸ BLK P51451 5/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ ROS1 P08922 1/20 0.43

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
SCHEMBL25030582 0.88 SRC (0.49) SRCFYNABL1YES1FGR
SCHEMBL18258367 0.81 ABL1 (0.49) SRCFYNABL1YES1FGR
SCHEMBL18250080 0.81 SRC (0.68) SRCFYNABL1YES1FGR
SCHEMBL18258364 0.81 ABL1 (0.51) SRCFYNABL1YES1FGR
SCHEMBL26148542 0.81 SRC (0.58) SRCFYNABL1YES1FGR
SCHEMBL18250085 0.81 SRC (0.50) SRCFYNABL1YES1FGR
SCHEMBL18258356 0.81 SRC (0.64) SRCFYNABL1YES1FGR
SCHEMBL18258360 0.80 SRC (0.69) SRCFYNABL1YES1FGR
SCHEMBL18250081 0.76 SRC (0.53) SRCFYNABL1YES1FGR
SCHEMBL28472880 0.75 FGFR2 (0.47) SRCFYNABL1YES1FGR

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-2023017264-A1 TYROSINE KINASE INHIBITORS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-02-16 — — WO disclosed
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