SCHEMBL18376859

SCHEMBL18376859

CCN1CCN(Cc2cccc(Nc3ncc4cccc(-c5ccc(S(=O)(=O)NC)cc5)c4n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.49
▸ JAK3 P52333 11/20 0.49
▸ PTK2 Q05397 10/20 0.49
▸ TYK2 P29597 3/20 0.43
▸ TBK1 Q9UHD2 3/20 0.43
▸ NTRK1 P04629 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ STK16 O75716 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ ULK3 Q6PHR2 1/20 0.43
▸ BMP2K Q9NSY1 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ FES P07332 1/20 0.42
▸ RET P07949 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ CDK4 P11802 1/20 0.42

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
SCHEMBL18376782 0.92 JAK2 (0.49) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376853 0.91 JAK3 (0.58) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376753 0.88 PTK2 (0.56) JAK2JAK3PTK2TYK2BRD4
SCHEMBL18376798 0.84 JAK2 (0.55) JAK2JAK3PTK2BRD4
SCHEMBL18377062 0.84 JAK3 (0.56) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376767 0.84 TBK1 (0.49) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376855 0.82 JAK2 (0.58) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376605 0.82 MAPK10 (0.44) JAK2JAK3PTK2TBK1BRD4
SCHEMBL18376765 0.82 JAK2 (0.56) JAK2JAK3PTK2TYK2TBK1
SCHEMBL18376784 0.82 TBK1 (0.49) JAK2JAK3PTK2TBK1BRD4

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
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 — — WO disclosed
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