SCHEMBL3769485

SCHEMBL3769485

Fc1cccc([C@H]2CCCN2c2ccn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.49
PIK3C3 Q8NEB9 2/20 0.48
NTRK2 Q16620 7/20 0.46
JAK2 O60674 7/20 0.46
NTRK3 Q16288 6/20 0.46
INSR P06213 3/20 0.46
LYN P07948 3/20 0.46
RET P07949 3/20 0.46
MET P08581 3/20 0.46
ROS1 P08922 3/20 0.46
FGR P09769 3/20 0.46
KIT P10721 3/20 0.46
FGFR4 P22455 3/20 0.46
FGFR3 P22607 3/20 0.46
TIE1 P35590 3/20 0.46
KDR P35968 3/20 0.46
FLT3 P36888 3/20 0.46
ALK Q9UM73 3/20 0.46
RIPK1 Q13546 1/20 0.45
ABL1 P00519 2/20 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
SCHEMBL17848931 0.84 NTRK1 (0.45) NTRK1JAK2NUDT1
SCHEMBL26968000 0.80 PIK3C3 (0.48) NTRK1PIK3C3JAK2NTRK3
SCHEMBL28173612 0.80 PIK3C3 (0.48) NTRK1PIK3C3JAK2NTRK3
SCHEMBL27095477 0.80 PIK3C3 (0.48) NTRK1PIK3C3JAK2NTRK3
SCHEMBL21097295 0.78 NTRK1 (0.43) NTRK1PIK3C3
SCHEMBL28918152 0.78 NTRK1 (0.43) NTRK1PIK3C3
SCHEMBL22324907 0.76 ALDH1A1 (0.48)
SCHEMBL21760197 0.74 NTRK1 (0.48) NTRK1PIK3C3NTRK2JAK2NTRK3
SCHEMBL983254 0.73 NTRK1 (0.48) NTRK1JAK2
SCHEMBL988331 0.73 NTRK1 (0.48) NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003214-A Substituted pyrazolo [1,5-a] pyrimidine compound as TRK kinase inhibitor 阵列生物制药公司 2019-07-12 CN disclosed
CN-106008523-B Substituted pyrazolo [1,5-a] pyrimidine compound as TRK kinase inhibitor 阵列生物制药公司 2019-01-25 CN disclosed
CN-106008523-A SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS 阵列生物制药公司 2016-10-12 CN disclosed
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 EP disclosed