SCHEMBL27658349

SCHEMBL27658349

Nc1cc(F)c(NC(CO)c2ccc(F)cc2)cc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.59
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL4697728 1.00 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL4696578 0.87 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL56685 0.86 NTRK1 (0.63) NTRK1JAK2JAK3
SCHEMBL56686 0.86 NTRK1 (0.63) NTRK1JAK2JAK3
SCHEMBL2634555 0.85 NTRK1 (0.60) NTRK1JAK2JAK3
SCHEMBL4696834 0.85 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL57982 0.85 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL27658432 0.85 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL57981 0.85 NTRK1 (0.59) NTRK1JAK2JAK3
SCHEMBL4086126 0.85 NTRK1 (0.55) NTRK1JAK2JAK3

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
CN-1968933-A Pyrazole derivatives useful for the treatment of cancer ASTRAZENECA AB (SE) 2007-05-23 CN disclosed