SCHEMBL3229082

SCHEMBL3229082

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
S1PR1 P21453 1/20 0.54
TNNI3K Q59H18 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
EGFR P00533 3/20 0.47
ERBB3 P21860 2/20 0.47
KMO O15229 2/20 0.47
LMNA P02545 1/20 0.47
ERBB4 Q15303 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
PTGS1 P23219 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 1/20 0.46
P2RX1 P51575 1/20 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
SCHEMBL3227860 0.90 EGFR (0.58) KCNH2NPC1RAB9AS1PR1TNNI3K
SCHEMBL3226154 0.88 S1PR1 (0.61) NPC1RAB9AS1PR1EGFRERBB3
SCHEMBL3227236 0.88 S1PR1 (0.57) KCNH2NPC1RAB9AS1PR1EGFR
SCHEMBL3228067 0.86 EGFR (0.58) NPC1RAB9AS1PR1EGFRERBB3
SCHEMBL3221150 0.85 S1PR1 (0.58) RAB9AS1PR1TNNI3KEGFRERBB3
SCHEMBL3227055 0.85 S1PR1 (0.58) RAB9AS1PR1TNNI3KEGFRERBB3
SCHEMBL3229139 0.85 S1PR1 (0.72) NPC1RAB9AS1PR1EGFRERBB3
SCHEMBL3222813 0.80 EGFR (0.64) KCNH2NPC1RAB9AS1PR1EGFR
SCHEMBL3219928 0.80 NPC1 (0.56) NPC1RAB9AS1PR1EGFRERBB3
SCHEMBL3225334 0.78 RAB9A (0.57) NPC1RAB9AS1PR1LMNASMN1; 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