SCHEMBL31469353

SCHEMBL31469353

CN1CCC(n2cc(-c3ccc4c(-c5c(-c6ccccc6)cnn5C5CCCCO5)ncnc4c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.43
DYRK1A Q13627 4/20 0.42
GSK3B P49841 3/20 0.42
WNT1 P04628 1/20 0.42
MCL1 Q07820 1/20 0.40
RIPK1 Q13546 1/20 0.38
BTK Q06187 4/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
EGFR P00533 2/20 0.37
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL26110568 0.86 ALK (0.41) ALKDYRK1AGSK3BWNT1MCL1
SCHEMBL38651284 0.83 MCL1 (0.40) DYRK1AGSK3BWNT1MCL1AXL
SCHEMBL31469324 0.80 ATR (0.40) MCL1
SCHEMBL31469312 0.78 ALK (0.44) ALKDYRK1AGSK3BWNT1EGFR
SCHEMBL26112400 0.77 ALK (0.45) ALKDYRK1AGSK3BWNT1RIPK1
SCHEMBL26111614 0.77 ALK (0.47) ALKDYRK1AGSK3BRIPK1EGFR
SCHEMBL26110531 0.75 AURKB (0.42) ALKMCL1AXL
SCHEMBL26114155 0.75 AURKB (0.40) ALKMCL1AXL
SCHEMBL31469256 0.72 ALDH1A1 (0.44) GSK3BEGFR
SCHEMBL26112104 0.72 DYRK1A (0.46) ALKDYRK1AGSK3BWNT1RIPK1

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
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed