SCHEMBL3383947

SCHEMBL3383947

Oc1nc(C2CC2)nc2ccc(-c3ccnc(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ MAP4K4 O95819 4/20 0.34
▸ MINK1 Q8N4C8 4/20 0.34
▸ TNIK Q9UKE5 4/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ KHK P50053 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL3388822 0.78 CAMKK2 (0.49) MAP4K4CAMKK2GSK3B
SCHEMBL3387260 0.74 ROCK2 (0.58) —
SCHEMBL13362879 0.74 CCNK (0.52) MAP4K4
SCHEMBL15819555 0.72 POLB (0.46) —
SCHEMBL13362884 0.72 JAK3 (0.50) MAP4K4AAK1TBK1GSK3B
SCHEMBL17260211 0.69 MTNR1A (0.57) MAPT
SCHEMBL13362782 0.69 PRMT5 (0.47) AAK1
SCHEMBL17376066 0.68 ABL1 (0.39) MAPTMAPK1
SCHEMBL13362810 0.67 ROCK2 (0.60) —
SCHEMBL22068158 0.66 IDO1 (0.55) MAPTMAP4K4MINK1TNIKMAPK1

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
WO-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
WO-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
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