SCHEMBL653285

SCHEMBL653285

Nc1ccccc1C(=O)Nc1n[nH]c2cc(C(=O)NC3(c4ccccc4)CC3)oc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.41
MAPK1 P28482 3/20 0.40
TTK P33981 2/20 0.39
WNT1 P04628 2/20 0.38
SCN9A Q15858 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FADS1 O60427 1/20 0.34
TACR3 P29371 1/20 0.34
HDAC1 Q13547 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL652665 0.85 MEN1 (0.40) DYRK1ANPC1ALDH1A1GAARAB9A
SCHEMBL4086452 0.84 MAPK1 (0.46) DYRK1AMAPK1TTKWNT1NPC1
SCHEMBL651126 0.84 NPC1 (0.41) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL4088328 0.83 MAPK1 (0.41) DYRK1AMAPK1TTKWNT1NPC1
SCHEMBL4088806 0.83 HSD17B13 (0.42) DYRK1AMAPK1TTKNPC1RAB9A
SCHEMBL4083945 0.80 MAPK1 (0.45) DYRK1AMAPK1WNT1SCN9ANPC1
SCHEMBL4088568 0.80 CDK2 (0.40) DYRK1ATTKSCN9ANPC1RAB9A
SCHEMBL4092150 0.80 SMN1; SMN2 (0.40) DYRK1AMAPK1WNT1SCN9ANPC1
SCHEMBL4078233 0.79 AURKA (0.54) JAK2
SCHEMBL655164 0.78 AURKA (0.42) MAPK1NPC1ALDH1A1GAARAB9A

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
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed