SCHEMBL22415909

SCHEMBL22415909

COCCN1CC[C@H](c2cncc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
TLR7 Q9NYK1 4/20 0.39
NTRK1 P04629 4/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL30010674 1.00 CCNT1 (0.39) CCNT1CDK9TLR7NTRK1MAPK11
SCHEMBL21936084 0.85 NTRK1 (0.43) CCNT1CDK9TLR7NTRK1TLR9
SCHEMBL13858452 0.85 NTRK1 (0.43) CCNT1CDK9TLR7NTRK1TLR9
SCHEMBL22415996 0.84 MAPK11 (0.44) TLR7MAPK11MAPK14TLR9TLR8
SCHEMBL28210779 0.80 MAPK11 (0.49) MAPK11MAPK14
SCHEMBL21147738 0.80 DRD2 (0.51)
SCHEMBL30010653 0.80 DRD2 (0.51)
SCHEMBL13974997 0.80 DRD2 (0.51)
SCHEMBL13974510 0.80 TLR9 (0.40) CCNT1CDK9TLR7NTRK1TLR9
SCHEMBL30010274 0.79 DRD2 (0.50) CCNT1CDK9

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-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP disclosed