SCHEMBL4014801

SCHEMBL4014801

O=C(c1cccc(O)c1F)c1c[nH]c2ncc(-c3ccsc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.60
AAK1 Q2M2I8 2/20 0.49
CDK8 P49336 1/20 0.49
CYP2C9 P11712 4/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP3A4 P08684 1/20 0.45
PAK1 Q13153 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL856967 0.87 AXL (0.59) AXLAAK1CDK8CYP2C9PAK1
SCHEMBL4014735 0.86 AXL (0.64) AXLAAK1CDK8CYP2C9PDGFRB
SCHEMBL857953 0.86 AXL (0.64) AXLAAK1CDK8CYP2C9PDGFRB
SCHEMBL416109 0.85 CYP2C9 (0.52) AXLAAK1CYP2C9CYP3A4PAK1
SCHEMBL856681 0.84 CDK8 (0.46) AXLAAK1CDK8CYP2C9CYP3A4
SCHEMBL20086209 0.83 AXL (0.60) AXLAAK1CDK8PAK1CCNT1
SCHEMBL414606 0.83 NEK1 (0.50) AXLAAK1CYP2C9CYP3A4PAK1
SCHEMBL415917 0.83 KIT (0.55) AXLCYP2C9
SCHEMBL857546 0.83 AXL (0.62) AXLAAK1CDK8PDGFRBPDGFRA
SCHEMBL411642 0.82 AXL (0.59) AXLAAK1CDK8CYP2C9CYP3A4

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-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed