SCHEMBL14548733

SCHEMBL14548733

C=CCNc1nnc(CI)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.45
KCNK3 O14649 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 3/20 0.43
POLB P06746 1/20 0.43
P2RX1 P51575 1/20 0.43
KDR P35968 2/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 2/20 0.42
KIT P10721 2/20 0.42
SRC P12931 2/20 0.42
MAPK14 Q16539 2/20 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
SCHEMBL14548734 0.96 MAPT (0.48) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL12333206 0.87 MAPT (0.50) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL2459929 0.87 MAPT (0.50) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL14548732 0.87 MAPT (0.54) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL14548726 0.86 RXFP1 (0.53) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL12333207 0.85 MAPT (0.50) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL2462429 0.85 MAPT (0.50) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL14548735 0.84 MAPT (0.53) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL14548725 0.82 RXFP1 (0.53) MAPTLMNAKCNK3MEN1KMT2A
SCHEMBL2459016 0.75 RXFP1 (0.55) MAPTLMNAKCNK3MEN1KMT2A

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-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed