SCHEMBL30396196

SCHEMBL30396196

CS(=O)(=O)c1ncc(C(F)(F)F)c(NC23CC(O)(C2)C3)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ LRRK2 Q5S007 9/20 0.34
▸ PTK2 Q05397 3/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ PTK2B Q14289 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ ULK1 O75385 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
SCHEMBL25209667 1.00 GSK3A (0.42) GSK3AGSK3BLRRK2PTK2TRPV1
SCHEMBL25210271 0.77 GSK3A (0.43) GSK3AGSK3BLRRK2KDRKIT
SCHEMBL30396166 0.77 GSK3A (0.43) GSK3AGSK3BLRRK2KDRKIT
SCHEMBL16821995 0.71 PRKCQ (0.44) LRRK2PTK2KDRKCNH2PTK2B
SCHEMBL28115998 0.71 PRKCQ (0.44) LRRK2PTK2KDRKCNH2PTK2B
SCHEMBL24087394 0.70 SDHB (0.39) LRRK2CDK1CDK4CCNB1CCNE1
SCHEMBL20555399 0.68 SMN1; SMN2 (0.33) LRRK2TRPV1CDK1CDK4CCNB1
SCHEMBL29141591 0.68 TLR9 (0.39) LRRK2CDK1CDK2KDRTLR8
SCHEMBL20555153 0.66 TLR8 (0.42) LRRK2PTK2CCNE1CDK2KDR
SCHEMBL25243394 0.65 KDR (0.44) LRRK2CDK1CDK4CCNB1CCNE1

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