SCHEMBL3225499

SCHEMBL3225499

CCNc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.58
KCNH2 Q12809 1/20 0.55
JAK1 P23458 4/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
NR4A1 P22736 1/20 0.50
JAK2 O60674 1/20 0.49

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
SCHEMBL16605355 0.87 RAB9A (0.61) KCNH2MEN1KMT2ARAB9ANPC1
SCHEMBL374420 0.80 JAK1 (0.66) JAK3JAK1JAK2
SCHEMBL3226011 0.79 S1PR1 (0.52) KCNH2MEN1KMT2ARAB9ANPC1
SCHEMBL14758540 0.76 KMO (0.64) KCNH2RAB9ANPC1MAPTHSD17B10
SCHEMBL1938447 0.75 RAB9A (0.55) KCNH2KMT2ARAB9ANPC1MAPT
SCHEMBL3224965 0.75 RAB9A (0.60) KCNH2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL24892344 0.74 CHIA (0.51) KCNH2MEN1KMT2ARAB9ANPC1
SCHEMBL30689699 0.73 RAB9A (0.59) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL18506896 0.73 JAK3 (0.82) JAK3JAK1JAK2
SCHEMBL15244861 0.73 MAPKAPK2 (0.60) RAB9ANPC1MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed