SCHEMBL4523358

SCHEMBL4523358

O=C(NCc1cccnc1)c1n[nH]c2ccc(-c3cncc4ccccc34)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc4ccccc34)cc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.58
WNT1 P04628 16/20 0.58
CLK2 P49760 6/20 0.52
CLK3 P49761 6/20 0.52
ABL1 P00519 1/20 0.50
CSF1R P07333 1/20 0.50
IGF1R P08069 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
TEK Q02763 1/20 0.50

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
SCHEMBL82407 0.93 DYRK1A (0.66) DYRK1AWNT1CLK2CLK3
SCHEMBL82655 0.90 DYRK1A (0.70) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL4514663 0.88 DYRK1A (0.52) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL4533934 0.81 FLT1 (0.54) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL4523182 0.80 DYRK1A (0.67) DYRK1AWNT1CLK2CLK3
SCHEMBL953365 0.79 DYRK1A (0.61) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL6219544 0.79 DYRK1A (0.72) DYRK1AWNT1CLK2CLK3
SCHEMBL6221664 0.79 DYRK1A (0.68) DYRK1AWNT1CLK2CLK3
Hydrochloric Acid SCHEMBL955121 0.79 DYRK1A (0.60) DYRK1AWNT1CLK2CLK3ABL1
Hydrochloric Acid SCHEMBL5915919 0.78 DYRK1A (0.49) DYRK1AWNT1CLK2CLK3ABL1

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-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US claimed