SCHEMBL24309422

SCHEMBL24309422

Cc1cccc(C)c1-c1cc(Oc2cccc(N3CCN(C)CC3)c2C(F)(F)F)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ CCNA2 P20248 5/20 0.31
▸ CDK2 P24941 5/20 0.31
▸ CCNA1 P78396 5/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CDK4 P11802 3/20 0.31
▸ CCND3 P30281 3/20 0.31
▸ GSK3B P49841 3/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ AURKA O14965 1/20 0.30
▸ CCNK O75909 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL24310751 0.88 MAP4K1 (0.34) MAP4K1TNK2SLC2A1
SCHEMBL24309872 0.85 CCNA2 (0.40) CCNA2CDK2CCNA1BRD4CDK4
SCHEMBL24310427 0.84 PLK1 (0.33) MAP4K1CCNA2CDK2CCNA1
SCHEMBL29566394 0.84 BRD4 (0.36) MAP4K1FGFR1FGFR2FGFR3TNK2
SCHEMBL24309421 0.84 BRD4 (0.36) MAP4K1FGFR1FGFR2FGFR3TNK2
SCHEMBL24309575 0.82 NPC1 (0.33) BRD4MTOR
SCHEMBL24309583 0.81 DYRK1A (0.35) MAP4K1TNK2GSK3BPIM1
SCHEMBL24309954 0.81 HTR1D (0.36) MAP4K1SLC2A1
SCHEMBL24309518 0.81 LMNA (0.39) MAP4K1BRD4
SCHEMBL24310284 0.81 MAP4K1 (0.37) MAP4K1TNK2BRD4

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-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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