SCHEMBL17848931

SCHEMBL17848931

Fc1cncc(C2CCCN2c2ccn[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.45
JAK2 O60674 14/20 0.45
NUDT1 P36639 1/20 0.41

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
SCHEMBL3769485 0.84 NTRK1 (0.49) NTRK1JAK2NUDT1
SCHEMBL983254 0.77 NTRK1 (0.48) NTRK1JAK2
SCHEMBL988331 0.77 NTRK1 (0.48) NTRK1JAK2
SCHEMBL27095477 0.76 PIK3C3 (0.48) NTRK1JAK2
SCHEMBL28173612 0.76 PIK3C3 (0.48) NTRK1JAK2
SCHEMBL26968000 0.76 PIK3C3 (0.48) NTRK1JAK2
SCHEMBL979031 0.75 NTRK1 (0.49) NTRK1JAK2
SCHEMBL981114 0.75 NTRK1 (0.49) NTRK1JAK2
SCHEMBL21097295 0.74 NTRK1 (0.43) NTRK1
SCHEMBL28918152 0.74 NTRK1 (0.43) NTRK1

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
EP-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 EP disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 WO disclosed