SCHEMBL14537085

SCHEMBL14537085

ICn1cc(-c2cnc3c(Nc4cccc(OC5CCNCC5)c4)nccn23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.46
▸ AURKB Q96GD4 6/20 0.46
▸ ACVR1 Q04771 1/20 0.42
▸ TTK P33981 1/20 0.41
▸ PTK6 Q13882 1/20 0.40
▸ GSK3B P49841 3/20 0.37
▸ DYRK1A Q13627 3/20 0.37
▸ WNT1 P04628 2/20 0.37
▸ FYN P06241 1/20 0.36
▸ AXL P30530 2/20 0.35
▸ TYRO3 Q06418 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL8241171 0.88 AURKA (0.59) AURKAAURKBACVR1TTKPTK6
SCHEMBL8246328 0.84 AURKA (0.56) AURKAAURKBACVR1TTKPTK6
SCHEMBL8240971 0.75 AURKA (0.66) AURKAAURKBTTKPTK6DYRK1A
SCHEMBL8249789 0.74 AURKA (0.58) AURKAAURKBTTKAXLTYRO3
SCHEMBL8241160 0.74 AURKA (0.49) AURKAAURKBTTK
SCHEMBL13154928 0.73 AURKA (0.57) AURKAAURKBGSK3BDYRK1AFLT3
SCHEMBL8239892 0.73 AURKA (0.56) AURKAAURKBTTKPTK6GSK3B
SCHEMBL8241321 0.73 AURKA (0.56) AURKAAURKBTTKPTK6GSK3B
SCHEMBL8239849 0.73 AURKA (0.54) AURKAAURKBTTKPTK6FYN
SCHEMBL8240704 0.72 AURKA (0.47) AURKAAURKBTTKPTK6GSK3B

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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