SCHEMBL4016727

SCHEMBL4016727

COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccsc4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.66
AAK1 Q2M2I8 2/20 0.47
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CDK8 P49336 1/20 0.44
PAK1 Q13153 1/20 0.43
NEK1 Q96PY6 1/20 0.43
CYP2C19 P33261 2/20 0.42
BRAF P15056 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL857666 0.88 AXL (0.61) AXLAAK1PDGFRBPDGFRACYP2C9
SCHEMBL857790 0.88 AXL (0.64) AXLAAK1PDGFRBPDGFRACYP2C9
SCHEMBL857973 0.87 AXL (0.64) AXLAAK1CYP2D6PAK1NEK1
SCHEMBL858514 0.85 AAK1 (0.46) AXLAAK1CYP2D6CYP2C9CDK8
SCHEMBL856981 0.83 AAK1 (0.52) AXLAAK1CYP2D6CYP2C9PAK1
SCHEMBL857953 0.83 AXL (0.64) AXLAAK1PDGFRBPDGFRACYP2C9
SCHEMBL857793 0.83 AXL (0.67) AXLAAK1CDK8NEK1
SCHEMBL4014735 0.82 AXL (0.64) AXLAAK1PDGFRBPDGFRACYP2D6
SCHEMBL857286 0.81 BRAF (0.52) AXLAAK1PDGFRBPDGFRACYP2D6
SCHEMBL857051 0.81 KIT (0.57) AXLAAK1CYP2D6NEK1BRAF

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