SCHEMBL15535232

SCHEMBL15535232

COc1ccc(-c2ccnc(Nc3ncccc3C(F)(F)F)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
LCK P06239 1/20 0.45
PRKCA P17252 1/20 0.45

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
SCHEMBL15533961 0.86 CAMKK2 (0.53) MAPTALDH1A1GAADYRK1ACLK4
SCHEMBL15533662 0.81 CYP2C19 (0.47) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL15534056 0.81 MEN1 (0.46) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL15533704 0.80 ABL1 (0.47) MAPTALDH1A1DYRK1ACLK4KDM4E
SCHEMBL15533865 0.79 SYK (0.53) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL15534241 0.78 CLK1 (0.63) MAPTDYRK1ACLK4JAK2FLT3
SCHEMBL15533965 0.78 SYK (0.51) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL15533545 0.78 DYRK1A (0.49) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL15534400 0.77 CLK1 (0.65) MAPTALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL4903233 0.77 JAK2 (0.65) MEN1NPC1RAB9AKMT2ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed