SCHEMBL18654537

SCHEMBL18654537

C[C@H]1CCCN1c1ccc2ncc(C(O)Nc3cccnc3)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.40
▸ SYK P43405 1/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ FGR P09769 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ TIE1 P35590 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL14897331 0.79 NAMPT (0.43) NTRK1SYKPOLB
SCHEMBL18654640 0.73 NTRK1 (0.42) NTRK1
SCHEMBL16243677 0.71 NTRK1 (0.46) NTRK1
SCHEMBL16243675 0.71 NTRK1 (0.46) NTRK1
SCHEMBL18654877 0.69 PIM1 (0.36) NTRK1NTRK3NTRK2
SCHEMBL14897339 0.69 IRAK4 (0.43) NTRK1
SCHEMBL18654678 0.68 FYN (0.44) —
SCHEMBL14897278 0.67 PRMT5 (0.46) NTRK1
SCHEMBL14896878 0.67 IRAK4 (0.42) NTRK1JAK2INSRLYNRET
SCHEMBL14897711 0.67 NTRK1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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