SCHEMBL24072905

SCHEMBL24072905

Cc1cn(-c2cccnc2)c2ncnc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.50
▸ CYP2E1 P05181 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ PIK3CD O00329 6/20 0.41
▸ EGFR P00533 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ ADK P55263 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 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
SCHEMBL19264154 0.85 SRC (0.67) SRCEGFRCDK1ADKMEN1
SCHEMBL24072610 0.84 SRC (0.50) SRCPIK3CDEGFRCDK1ADK
SCHEMBL24072588 0.83 PI4KB (0.57) SRCCYP2E1CYP2A6CYP3A4PI4KA
SCHEMBL22084739 0.83 SRC (0.50) SRCCYP2E1CYP2A6CYP3A4PI4KA
SCHEMBL29484482 0.83 SRC (0.50) SRCCYP2E1CYP2A6CYP3A4PI4KA
SCHEMBL30150810 0.80 SRC (0.80) SRCEGFRCDK1MEN1KMT2A
SCHEMBL30150807 0.80 SRC (0.80) SRCEGFRCDK1MEN1KMT2A
SCHEMBL22086027 0.80 SRC (0.80) SRCEGFRCDK1MEN1KMT2A
SCHEMBL22086335 0.78 SRC (0.39) SRCEGFRCDK1ADKMEN1
SCHEMBL22086067 0.76 SRC (0.78) SRCEGFRCDK1MEN1KMT2A

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-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 — — WO disclosed
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