SCHEMBL5019746

SCHEMBL5019746

CC1=C(c2cnc(NC(=O)c3cncc(F)c3C)cn2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.33
ABL1 P00519 2/20 0.32
KMT2A Q03164 1/20 0.32
IL2 P60568 3/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL5019579 0.89 KMT2A (0.39) MAP3K5KMT2AIL2WNT1GSK3B
SCHEMBL3826508 0.87 KMT2A (0.47) MAP3K5ABL1KMT2AWNT1GSK3B
SCHEMBL3827961 0.86 HTR1F (0.42) MAP3K5KMT2AIL2WNT1GSK3B
SCHEMBL10819910 0.86 MAP3K5 (0.39) MAP3K5KMT2AIL2WNT1GSK3B
SCHEMBL5019603 0.86 KMT2A (0.39) MAP3K5KMT2AIL2WNT1GSK3B
SCHEMBL5019627 0.86 CSNK1D (0.37) MAP3K5ABL1IL2WNT1GSK3B
SCHEMBL3825366 0.85 IL2 (0.44) MAP3K5KMT2AIL2
SCHEMBL5019588 0.84 GRM5 (0.36) MAP3K5IL2WNT1GSK3BDYRK1A
SCHEMBL4561040 0.83 KMT2A (0.35) KMT2AIL2
SCHEMBL4999489 0.83 HDAC4 (0.35) WNT1GSK3BDYRK1A

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