SCHEMBL5019579

SCHEMBL5019579

CC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
MAP3K5 Q99683 7/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IL2 P60568 3/20 0.36
SCN9A Q15858 2/20 0.34
P2RX7 Q99572 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33

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
SCHEMBL5019603 0.93 KMT2A (0.39) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL3826508 0.93 KMT2A (0.47) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL3825366 0.91 IL2 (0.44) KMT2AMAP3K5KDM4ENPC1RAB9A
SCHEMBL5019746 0.89 MAP3K5 (0.33) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL5019599 0.89 SMN1; SMN2 (0.40) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL8186422 0.88 IL2 (0.40) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL12650398 0.87 IL2 (0.40) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL3824488 0.87 IL2 (0.42) KMT2AALDH1A1IL2P2RX7STIM1
SCHEMBL10819910 0.87 MAP3K5 (0.39) KMT2ADYRK1AWNT1GSK3BMAP3K5
SCHEMBL3827961 0.87 HTR1F (0.42) KMT2ADYRK1AWNT1GSK3BMAP3K5

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