SCHEMBL22201571

SCHEMBL22201571

N#Cc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 1.00
HPGD P15428 3/20 0.79
CYP1A2 P05177 2/20 0.79
USP2 O75604 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
CASP1 P29466 1/20 0.79
ALDH1A1 P00352 3/20 0.74
KDM4E B2RXH2 3/20 0.74
LMNA P02545 2/20 0.74
MEN1 O00255 1/20 0.74
TP53 P04637 1/20 0.74
MAPT P10636 1/20 0.74
TSHR P16473 1/20 0.74
KMT2A Q03164 1/20 0.74
HSD17B10 Q99714 1/20 0.74
POLB P06746 2/20 0.71
GSK3A P49840 1/20 0.71
GSK3B P49841 1/20 0.71
PDE5A O76074 1/20 0.70

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
SCHEMBL1063549 0.93 ABCG2 (1.00) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL14475900 0.88 ABCG2 (0.78) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL7434986 0.84 ALDH1A1 (1.00) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL1083761 0.83 HPGD (1.00) ABCG2HPGDALDH1A1KDM4ELMNA
SCHEMBL14475898 0.82 ABCG2 (0.78) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL22201579 0.82 ABCG2 (0.85) ABCG2HPGDALDH1A1KDM4ELMNA
SCHEMBL1083768 0.82 KDM4E (1.00) ABCG2HPGDALDH1A1KDM4ELMNA
SCHEMBL3460305 0.81 ALDH1A1 (0.94) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL14262837 0.81 KDM4E (0.94) ABCG2HPGDCYP1A2USP2CYP3A4
SCHEMBL7280956 0.80 ABCG2 (1.00) ABCG2HPGDALDH1A1KDM4ELMNA

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed