SCHEMBL21636250

SCHEMBL21636250

CNc1ccc(-n2nc(C)c3c2-c2ccsc2CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CCNA2 P20248 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNA1 P78396 3/20 0.32
▸ SHMT2 P34897 1/20 0.32
▸ IKBKB O14920 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
SCHEMBL21636241 0.84 HIF1A (0.43) CCNA2CDK2CCNA1SHMT2
SCHEMBL21625152 0.78 SHMT2 (0.48) SHMT2IKBKB
SCHEMBL21636277 0.75 GRIA2 (0.37) CCNA2CDK2CCNA1SHMT2
SCHEMBL21625134 0.69 PIK3CD (0.49) F10SHMT2IKBKB
SCHEMBL21625121 0.66 SHMT2 (0.47) CCNA2CDK2CCNA1SHMT2IKBKB
SCHEMBL21625120 0.66 SHMT2 (0.43) CCNA2CDK2CCNA1SHMT2
SCHEMBL21625198 0.64 SHMT2 (0.50) CCNA2CDK2CCNA1SHMT2
SCHEMBL21625118 0.64 SHMT2 (0.50) SHMT2
SCHEMBL21625174 0.64 SHMT2 (0.50) SHMT2
SCHEMBL6659189 0.64 CCNA2 (0.64) CCNA2CDK2CCNA1IKBKB

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-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO disclosed
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