SCHEMBL2313367

SCHEMBL2313367

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2C(F)(F)F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
RAF1 P04049 5/20 0.49
BRAF P15056 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MITF O75030 1/20 0.46
G6PD P11413 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
MC4R P32245 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR9 Q9NR96 1/20 0.46
ITGA4 P13612 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL2312412 0.80 TP53 (0.67) MAPTRAF1BRAFSMN1; SMN2TP53
SCHEMBL4829508 0.80 CSF1R (0.68) RAF1BRAFCSF1R
SCHEMBL15937435 0.79 JAK3 (0.44) MAPTRAF1BRAFSMN1; SMN2MAPK1
SCHEMBL18394518 0.79 PRKDC (0.48) MAPTLMNAL3MBTL1
SCHEMBL5897175 0.78 MAPK14 (0.59) MAPTRAF1BRAFSMN1; SMN2MAPK1
SCHEMBL28870257 0.78 SMN1; SMN2 (0.69) MAPTRAF1BRAFSMN1; SMN2TP53
SCHEMBL4827472 0.76 RAF1 (0.64) RAF1BRAFMAPK1TP53NPC1
SCHEMBL1408452 0.76 PTGS1 (0.66) SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL15924738 0.75 PRKDC (0.54) MAPTL3MBTL1
SCHEMBL4250568 0.74 KIT (0.61) RAF1BRAFMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011093684-A2 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI HOLDINGS CO., LTD. (KR) 2011-08-04 WO disclosed