SCHEMBL13844941

SCHEMBL13844941

Cc1cccc(CNCc2cccc(-c3cn4ncccc4n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.42
KCNN3 Q9UGI6 1/20 0.41
CYP1A2 P05177 8/20 0.40
CYP3A4 P08684 8/20 0.40
CYP2D6 P10635 8/20 0.40
CYP2C19 P33261 8/20 0.40
TSHR P16473 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 2/20 0.40
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRMT6 Q96LA8 2/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 3/20 0.38

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
SCHEMBL12926165 0.83 NOS3 (0.40) WDR5ALDH1A1KDM4ESMN1; SMN2PRMT6
SCHEMBL44267 0.83 ALDH1A3 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL44288 0.78 CHEK1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNACYP2C9
SCHEMBL44576 0.78 WDR5 (0.46) WDR5TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL44612 0.76 TSHR (0.42) CYP2D6CYP2C19TSHRALDH1A1KDM4E
SCHEMBL39537 0.76 WDR5 (0.46) WDR5ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL38565 0.74 WDR5 (0.44) WDR5CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL38703 0.73 WDR5 (0.44) WDR5CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL44301 0.73 WDR5 (0.66) WDR5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL44512 0.73 WDR5 (0.52) WDR5KDM4ETDP1MAPTLMNA

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-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed