SCHEMBL25210271

SCHEMBL25210271

CSc1ncc(C(F)(F)F)c(NC23CC(O)(C2)C3)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ LRRK2 Q5S007 6/20 0.33
▸ ULK1 O75385 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ FLT3 P36888 1/20 0.31

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
SCHEMBL30396166 1.00 GSK3A (0.43) GSK3AGSK3BRXFP1AURKALRRK2
SCHEMBL25525067 0.85 RXFP1 (0.36) GSK3AGSK3BRXFP1AURKALRRK2
SCHEMBL30396196 0.77 GSK3A (0.42) GSK3AGSK3BLRRK2ULK1KDR
SCHEMBL25209667 0.77 GSK3A (0.42) GSK3AGSK3BLRRK2ULK1KDR
SCHEMBL16835308 0.70 PRKCQ (0.45) ULK1KDRAURKBKITFLT3
SCHEMBL16822075 0.70 PRKCQ (0.45) ULK1KDRAURKBKITFLT3
SCHEMBL16835307 0.70 PRKCQ (0.45) ULK1KDRAURKBKITFLT3
SCHEMBL25528049 0.70 ALDH1A1 (0.41) LRRK2ULK1FLT3
SCHEMBL25201215 0.69 ULK1 (0.47) LRRK2ULK1KITFLT3
SCHEMBL25521616 0.69 RXFP1 (0.40) RXFP1AURKAKDRAURKBLMNA

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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