SCHEMBL5019588

SCHEMBL5019588

CC1=C(c2cnc(NC(=O)c3cc(F)cc(F)c3)cn2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPY5R Q15761 1/20 0.35
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
DYRK1A Q13627 6/20 0.33
WDR5 P61964 1/20 0.33
GSK3B P49841 2/20 0.33
MAP3K5 Q99683 1/20 0.33
WNT1 P04628 2/20 0.33
IL2 P60568 1/20 0.33
MAPK14 Q16539 2/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL3825366 0.87 IL2 (0.44) KDM4EMAP3K5IL2
SCHEMBL3827961 0.86 HTR1F (0.42) CSNK1DCSNK1EDYRK1AGSK3BMAP3K5
SCHEMBL4999489 0.85 HDAC4 (0.35) KDM4EDYRK1AGSK3BWNT1
SCHEMBL5019718 0.85 THRB (0.36) KDM4EDYRK1AMAP3K5WNT1IL2
SCHEMBL10819910 0.85 MAP3K5 (0.39) KDM4EDYRK1AGSK3BMAP3K5WNT1
SCHEMBL3826508 0.84 KMT2A (0.47) KDM4ECSNK1DCSNK1EDYRK1AGSK3B
SCHEMBL8186422 0.84 IL2 (0.40) KDM4EDYRK1AGSK3BMAP3K5WNT1
SCHEMBL5019746 0.84 MAP3K5 (0.33) DYRK1AGSK3BMAP3K5WNT1IL2
SCHEMBL12650398 0.83 IL2 (0.40) KDM4EDYRK1AGSK3BMAP3K5WNT1
SCHEMBL3824488 0.83 IL2 (0.42) IL2

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed