SCHEMBL7698308

SCHEMBL7698308

CCOC(=O)c1c(CO)cnn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL7702111 0.86 KMT2A (0.44) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL2521960 0.81 KMT2A (0.48) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL1458129 0.80 ALDH1A1 (0.50) KMT2ARAB9AALDH1A1KDM4EMAPT
SCHEMBL15897191 0.79 KMT2A (0.49) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL16177307 0.79 SMN1; SMN2 (0.51) KMT2AALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7451066 0.79 LMNA (0.46) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL25607515 0.79 KMT2A (0.46) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL8509672 0.78 LMNA (0.38) KMT2AGAASMN1; SMN2LMNA
SCHEMBL23122103 0.77 ALDH1A1 (0.45) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL1458264 0.77 CYP2C9 (0.47) KMT2ARAB9AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed