SCHEMBL20344004

SCHEMBL20344004

Cc1cc2c(NC3CCC3)nc(Nc3ccc(C=N)c(N)c3)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.46
SYK P43405 5/20 0.41
PAK4 O96013 4/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
STK16 O75716 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
TTK P33981 1/20 0.40
GRK5 P34947 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
PTK2 Q05397 1/20 0.40
TYRO3 Q06418 1/20 0.40
TNK2 Q07912 1/20 0.40

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
SCHEMBL20344031 0.78 BTK (0.47) JAK3BTK
SCHEMBL20344055 0.77 PAK4 (0.63) MERTKPAK4JAK2PTK2JAK3
SCHEMBL1017607 0.77 SYK (0.58) SYKPAK4ULK1ADORA3
SCHEMBL20343964 0.76 MERTK (0.40) MERTKSYKTOP2AADORA3
SCHEMBL20344029 0.72 BTK (0.45) SYKJAK3BTK
SCHEMBL20344027 0.70 IRAK4 (0.39) MERTKSYKPAK4TTKULK1
SCHEMBL13666490 0.69 BTK (0.46) JAK3BTK
SCHEMBL1017293 0.68 EHMT2 (0.41) PAK4ADORA3
SCHEMBL12082657 0.66 NPC1 (0.41) TTK
SCHEMBL24312397 0.66 KMT2A (0.43) ADORA3

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-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed