SCHEMBL27361790

SCHEMBL27361790

CSc1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3n2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
FGFR1 P11362 10/20 0.44
EGFR P00533 7/20 0.44
WEE1 P30291 5/20 0.44
SRC P12931 5/20 0.44
FGFR4 P22455 4/20 0.44
ABL1 P00519 3/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
LIMK1 P53667 2/20 0.44
MAPK14 Q16539 2/20 0.44
ACVR1 Q04771 2/20 0.44
PKMYT1 Q99640 2/20 0.44

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
SCHEMBL30836989 0.89 CDK4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27229104 0.89 CDK4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27229116 0.85 CDK4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30836977 0.85 CDK4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25122990 0.83 RIPK2 (0.40) FGFR1EGFRWEE1SRCFGFR4
SCHEMBL29991124 0.83 RIPK2 (0.40) FGFR1EGFRWEE1SRCFGFR4
SCHEMBL25122419 0.83 LRRK2 (0.47) ACVR1LRRK2RIPK2PTK6CCNE1
SCHEMBL25122423 0.82 RIPK2 (0.39) FGFR1EGFRWEE1LIMK1ACVR1
SCHEMBL27358404 0.82 FGFR1 (0.42) FGFR1EGFRWEE1SRCFGFR4
SCHEMBL27166404 0.82 WEE1 (0.47) FGFR1EGFRWEE1SRCFGFR4

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-2024039903-A2 CDK2 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-02-22 WO disclosed