SCHEMBL10379252

SCHEMBL10379252

Cc1nc(N)c2nc(CN(C)c3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.59
KDM4E B2RXH2 1/20 0.56
TLR4 O00206 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
TYMS P04818 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
HMGB1 P09429 1/20 0.56
MAPT P10636 1/20 0.56
FOLR2 P14207 1/20 0.56
FOLR1 P15328 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
GART P22102 1/20 0.56
APEX1 P27695 1/20 0.56
CASP1 P29466 1/20 0.56

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
SCHEMBL18250751 0.91 DHFR (0.59) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL221621 0.90 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL29658170 0.90 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1230259 0.89 DHFR (0.70) DHFRKDM4ETLR4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL3171572 0.88 DHFR (0.69) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13640723 0.87 DHFR (0.48) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL10379599 0.85 DHFR (0.55) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13529957 0.83 DHFR (0.60) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL30110296 0.83 DHFR (0.62) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13524535 0.81 FPGS (0.86) DHFRKDM4ETLR4MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013109939-A1 METHODS OF MAKING AND USING NANOSTRUCTURES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-07-25 WO disclosed
US-4956461-A LEUKEMIA, ANTICARCINOGENIC AGENTS DANA FARBER CANCER INSTITUTE, INC. (US) 1990-09-11 US disclosed
WO-1990004593-A1 DESAMINO-AMINOPTERIN AND -METHOTREXATE DANA-FARBER CANCER INSTITUTE (US) 1990-05-03 WO disclosed