SCHEMBL7702111

SCHEMBL7702111

CCOC(=O)c1c(CBr)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL7698308 0.86 KMT2A (0.45) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL16177307 0.81 SMN1; SMN2 (0.51) KMT2AALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2521960 0.80 KMT2A (0.48) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL1458129 0.79 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL25607515 0.78 KMT2A (0.46) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL7451066 0.78 LMNA (0.46) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL15897191 0.78 KMT2A (0.49) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL23122103 0.76 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL1458264 0.76 CYP2C9 (0.47) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL25332626 0.76 RAB9A (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD

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