SCHEMBL12699587

SCHEMBL12699587

CC(C)(C)OC(=O)N1CCC(Nc2ccc3ncc(-c4ccc(N)c(F)c4)n3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.50
FYN P06241 4/20 0.49
KCNH2 Q12809 4/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
SYK P43405 1/20 0.46
IKBKB O14920 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
SCHEMBL12699555 0.89 FYN (0.63) PIM1FYNKCNH2SYKIKBKB
SCHEMBL12699340 0.86 FYN (0.52) PIM1FYNKCNH2SYK
SCHEMBL12350891 0.86 FYN (0.52) PIM1FYNKCNH2SYK
SCHEMBL3039012 0.83 MKNK1 (0.63) PIM1FYNKCNH2SYK
SCHEMBL2356723 0.83 PIM1 (0.49) PIM1FYNKCNH2SYK
SCHEMBL2941615 0.82 FYN (0.51) PIM1FYNPIM3PIM2SYK
SCHEMBL2237814 0.81 PIM1 (0.47) PIM1FYNKCNH2SYK
SCHEMBL12699568 0.81 USP30 (0.49) PIM1FYNKCNH2
SCHEMBL26915253 0.81 PIM1 (0.65) PIM1KCNH2PIM3PIM2SYK
SCHEMBL2240581 0.80 KCNH2 (0.51) PIM1FYNKCNH2SYK

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
WO-2012127212-A1 IMIDAZO [1, 2 - B] PYRIDAZINE DERIVATIVES AS CDPK1 INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-09-27 WO disclosed