SCHEMBL14548732

SCHEMBL14548732

CNc1nnc(CI)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 1/20 0.48
KIT P10721 4/20 0.48
MAPK14 Q16539 4/20 0.48
LCK P06239 3/20 0.48
KDR P35968 3/20 0.48
SRC P12931 2/20 0.48
TSHR P16473 1/20 0.47
RAF1 P04049 1/20 0.47
P2RX1 P51575 1/20 0.47
LMNA P02545 1/20 0.47
CSF1R P07333 2/20 0.47
POLB P06746 1/20 0.47
PTGS1 P23219 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL14548735 0.97 MAPT (0.53) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14548726 0.87 RXFP1 (0.53) MAPTMEN1KMT2AHTTKCNK3
SCHEMBL14548733 0.87 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL12333075 0.87 MAPT (0.57) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2456844 0.86 MAPT (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL12333076 0.85 MAPT (0.57) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2459047 0.84 MAPT (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2462026 0.83 MAPT (0.53) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14548725 0.83 RXFP1 (0.53) MAPTMEN1KMT2AHTTKCNK3
SCHEMBL14548734 0.83 MAPT (0.48) MAPTMEN1KMT2AHTTRAB9A

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