SCHEMBL19997257

SCHEMBL19997257

CCC(=O)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.52
BMPR1B O00238 1/20 0.49
PLK4 O00444 1/20 0.49
PIR O00625 1/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK16 O75716 1/20 0.49
OXSR1 O95747 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
FES P07332 1/20 0.49
CSF1R P07333 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
HCK P08631 1/20 0.49

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
SCHEMBL31635978 0.88 PKM (0.49) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL13888085 0.85 PKM (0.47) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL17324586 0.83 BRAF (0.49) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL27795046 0.83 BRAF (0.54) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL23412702 0.83 F7 (0.56) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL8478533 0.82 PLK4 (0.44) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL19997224 0.82 AXL (0.42) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL9936933 0.81 AXL (0.63) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL28489988 0.80 JAK2 (0.48) BRAFBMPR1BPLK4PIRAURKA
SCHEMBL14828891 0.80 BRAF (0.47) BRAFBMPR1BPLK4PIRAURKA

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-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed