SCHEMBL3633129

SCHEMBL3633129

O=C(O)NCCc1ncc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
AGBL2 Q5U5Z8 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
HIF1A Q16665 2/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL1396181 0.83 QPCT (0.47) APLNRHIF1AALDH1A1HPGDSMN1; SMN2
SCHEMBL2886185 0.83 RAB9A (0.36) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21067103 0.82 AGBL2 (0.40) APLNRAGBL2NPC1RAB9AALDH1A1
SCHEMBL3633272 0.79 DAO (0.42) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL2846514 0.79 HIF1A (0.51) NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL30941107 0.71 NPC1 (0.62) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL3934379 0.70 APLNR (0.50) APLNR
SCHEMBL1396182 0.69 APLNR (0.46) APLNRAGBL2NPC1RAB9A
SCHEMBL2947631 0.68 AGBL2 (0.36) AGBL2NPC1RAB9AHIF1AALDH1A1
SCHEMBL6168564 0.68 KMT2A (0.41) HPGDSMN1; SMN2

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
EP-2152702-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO disclosed
WO-2008135786-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 WO disclosed