SCHEMBL3783299

SCHEMBL3783299

Nc1cc(-n2cnc(C3CC3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 8/20 0.63
ABL1 P00519 3/20 0.40
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
MAP3K5 Q99683 4/20 0.33
MALT1 Q9UDY8 1/20 0.32
DDR1 Q08345 2/20 0.32
DDR2 Q16832 2/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL27973720 0.87 NR2E1 (0.57) NR2E1ABL1DDR1DDR2NTRK1
SCHEMBL24122631 0.79 NR2E1 (0.46) NR2E1ABL1MALT1DDR1DDR2
SCHEMBL589390 0.77 NR2E1 (1.00) NR2E1ABL1
Hydrochloric Acid SCHEMBL29768795 0.76 NR2E1 (0.97) NR2E1ABL1
Hydrochloric Acid SCHEMBL21462041 0.76 NR2E1 (0.97) NR2E1ABL1
SCHEMBL29949305 0.74 MAP3K5 (0.38) NR2E1MAP3K5
SCHEMBL21887465 0.74 MAP3K5 (0.47) MAP3K5
SCHEMBL29404609 0.74 MAP3K5 (0.47) MAP3K5
SCHEMBL28848739 0.74 MAP3K5 (0.38) NR2E1MAP3K5
SCHEMBL19376626 0.74 NR2E1 (0.64) NR2E1ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096395-A1 AMIDES AS KINASE INHIBITORS SYNTECH SOLUTION LLC (US) 2010-08-26 WO disclosed
WO-2010096395-A1 AMIDES AS KINASE INHIBITORS SYNTECH SOLUTION LLC (US) 2010-08-26 WO disclosed