SCHEMBL27760171

SCHEMBL27760171

O=C(Oc1ccnc(N(c2ccccc2)N2CCOCC2)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PRKDC P78527 1/20 0.40
METAP1 P53582 2/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.38
METAP2 P50579 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL17287878 0.78 PIK3CG (0.45) KMT2AMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL27815576 0.76 PIK3CA (0.46) MAPTPOLBSMN1; SMN2ALDH1A1METAP1
SCHEMBL27921621 0.76 CAMK2D (0.46) MAPTALDH1A1METAP1HDAC6ALOX15
SCHEMBL18335244 0.75 METAP1 (0.43) KMT2AMAPTALDH1A1METAP1LMNA
SCHEMBL27760169 0.74 JAK2 (0.52) POLBHTTPRKDCLMNAHDAC6
SCHEMBL17537245 0.74 EGLN1 (0.39) KMT2AMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL27552396 0.73 LMNA (0.51) KMT2AMAPTSMN1; SMN2ALDH1A1METAP1
SCHEMBL27794443 0.70 HDAC1 (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL27739794 0.70 ATR (0.46) KMT2ASMN1; SMN2HDAC6NPC1MEN1
SCHEMBL27815572 0.69 HPGDS (0.51) GAAHDAC6

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
CN-101861313-B Phenylaminopyrimidine compounds and their use CYTOPIA RES PTY LTD 2014-06-04 CN disclosed
CN-101861313-A Phenylaminopyrimidine compounds and their use CYTOPIA RES PTY LTD 2010-10-13 CN disclosed
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed