SCHEMBL3226154

SCHEMBL3226154

O=C(Nc1ccccc1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.61
KMO O15229 2/20 0.56
EGFR P00533 5/20 0.53
ERBB3 P21860 3/20 0.53
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDR P35968 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL3227055 0.93 S1PR1 (0.58) S1PR1KMOEGFRERBB3JAK2
SCHEMBL3221150 0.93 S1PR1 (0.58) S1PR1KMOEGFRERBB3JAK2
SCHEMBL3229139 0.93 S1PR1 (0.72) S1PR1KMOEGFRERBB3JAK2
SCHEMBL3228067 0.92 EGFR (0.58) S1PR1KMOEGFRERBB3JAK2
SCHEMBL3227236 0.88 S1PR1 (0.57) S1PR1KMOEGFRERBB3SMN1; SMN2
SCHEMBL3229082 0.88 KCNH2 (0.59) S1PR1KMOEGFRERBB3SMN1; SMN2
SCHEMBL3225334 0.88 RAB9A (0.57) S1PR1JAK2TYK2SMN1; SMN2NPC1
SCHEMBL3219928 0.88 NPC1 (0.56) S1PR1KMOEGFRERBB3JAK2
SCHEMBL25387375 0.85 KMO (0.54) S1PR1KMOEGFRERBB3JAK2
SCHEMBL3226900 0.85 KMO (0.66) S1PR1KMOEGFRERBB3NPC1

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