SCHEMBL4694146

SCHEMBL4694146

FC(F)(F)c1cccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.53
IGF1R P08069 1/20 0.51
PIM1 P11309 2/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
CCNT1 O60563 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
SCD O00767 4/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL4694151 0.86 NTRK1 (0.55) NTRK1IGF1RPIM1CCNA2CDK2
SCHEMBL4696455 0.83 NTRK1 (0.64) NTRK1PIM1CCNT1
SCHEMBL56866 0.80 NTRK1 (0.52) NTRK1SMN1; SMN2LMNACCNT1MEN1
SCHEMBL4694035 0.76 NTRK1 (0.54) NTRK1IGF1RPIM1
SCHEMBL4693854 0.74 NTRK1 (0.59) NTRK1FLT3
SCHEMBL4695287 0.71 NTRK1 (0.62) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4698140 0.70 NTRK1 (0.66) NTRK1IGF1RLMNA
SCHEMBL4750903 0.70 NTRK1 (0.79) NTRK1FLT3
SCHEMBL4695215 0.69 NUAK1 (0.61) NTRK1IGF1R
SCHEMBL3766966 0.68 NTRK1 (1.00) NTRK1FLT3

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed