SCHEMBL16199523

SCHEMBL16199523

CC=C(C)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cc(OC)ccc4F)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 3/20 0.53
RIPK1 Q13546 1/20 0.51
BTK Q06187 9/20 0.51
ITK Q08881 9/20 0.51
KIT P10721 1/20 0.49
AAK1 Q2M2I8 1/20 0.46
NTRK1 P04629 1/20 0.46
NEK1 Q96PY6 1/20 0.46
AXL P30530 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL857051 0.92 KIT (0.57) PLCG1RIPK1BTKITKKIT
SCHEMBL14620675 0.88 BTK (0.53) PLCG1RIPK1BTKITKKIT
SCHEMBL857973 0.85 AXL (0.64) RIPK1AAK1NEK1AXLCYP2D6
SCHEMBL857556 0.82 NTRK1 (0.57) RIPK1BTKITKKITNTRK1
SCHEMBL856965 0.81 AAK1 (0.48) PLCG1RIPK1BTKITKKIT
SCHEMBL856981 0.81 AAK1 (0.52) RIPK1KITAAK1NTRK1NEK1
SCHEMBL857930 0.79 NTRK1 (0.60) PLCG1RIPK1BTKITKKIT
SCHEMBL4016727 0.78 AXL (0.66) AAK1NEK1AXLCYP2D6
SCHEMBL415590 0.78 KIT (0.61) PLCG1RIPK1BTKITKKIT
SCHEMBL412758 0.77 KIT (0.63) PLCG1RIPK1BTKITKKIT

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
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed