SCHEMBL9900107

SCHEMBL9900107

Cc1nnc(Sc2nc3cscc3nc2C(F)(F)F)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.48
KDR P35968 1/20 0.38
GAA P10253 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
KDM1A O60341 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 5/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL6303849 0.85 GLP1R (0.67) GLP1RKDRGAAICAM1SELE
SCHEMBL6304106 0.80 GLP1R (0.58) GLP1RKDRGAAICAM1SELE
SCHEMBL6303827 0.75 NPC1 (0.46) GLP1RKDRGAANPC1RAB9A
SCHEMBL6306350 0.74 GLP1R (0.41) GLP1RGAANPC1RAB9APOLB
SCHEMBL6306346 0.73 GLP1R (0.40) GLP1RKDRPOLBMAPTNPSR1
SCHEMBL9905747 0.69 KDM4E (0.40) GLP1RNPC1RAB9AHSD17B10NPSR1
SCHEMBL9925831 0.67 GLP1R (0.34) GLP1RNPC1RAB9AMAPTNPSR1
SCHEMBL9900753 0.65 ALDH1A1 (0.46) GAANPC1RAB9APOLBHSD17B10
SCHEMBL8043918 0.65 MAPT (0.45) GAAICAM1SELEVCAM1POLB
SCHEMBL9900886 0.62 GLP1R (0.35) GLP1RGAAMAPTALDH1A1

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-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed