SCHEMBL7719378

SCHEMBL7719378

CC(C)C(CO)Nc1nc(N2CCN(c3ccnnc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL194767 1.00 CCNA2 (0.35) CCNA2CDK2CCNA1CDK5DYRK1A
Trifluoroacetic Acid SCHEMBL17019874 0.93 CYP11B2 (0.34) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL7715595 0.90 CCNA2 (0.33) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL194327 0.90 CCNA2 (0.33) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL7715849 0.86 SORD (0.31) TRPV3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL194397 0.86 SORD (0.31) TRPV3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17019875 0.85 GPR6 (0.31) —
SCHEMBL3046733 0.85 HTR3A (0.36) CDK2TRPV3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3046737 0.85 HTR3A (0.36) CDK2TRPV3KDM4EALDH1A1SMN1; SMN2
SCHEMBL588851 0.85 CDK1 (0.34) TRPV3KDM4EALDH1A1LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — WO disclosed
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