SCHEMBL16223776

SCHEMBL16223776

Nc1cnc2[c]cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDPK1 O15530 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 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
SCHEMBL4401093 0.77 CYP2A6 (0.34) ALDH1A1HSD17B10KDM4ETSHRHTT
SCHEMBL4397412 0.77 CYP1A2 (0.34)
SCHEMBL2889003 0.77 CYP1A2 (0.50) ALDH1A1KDM4ETDP1
SCHEMBL4402445 0.77 CYP2A6 (0.34) HTTSMN1; SMN2
SCHEMBL3824244 0.74 KDM4E (0.47) ALDH1A1CASP1KDM4EMAPTSMN1; SMN2
SCHEMBL10321126 0.73 CYP1A2 (0.41) ALDH1A1CYP3A4EGFR
SCHEMBL4399735 0.72 PDGFRB (0.56) ALDH1A1HSD17B10CASP1KDM4EMAPT
SCHEMBL4843211 0.71 PDPK1 (0.36) ALDH1A1KDM4EPDPK1
SCHEMBL4843376 0.69 BACE1 (0.36) ALDH1A1HSD17B10KDM4EMAPTPDPK1
SCHEMBL19695 0.69 TSHR (0.42) ALDH1A1HSD17B10CASP1KDM4ETP53

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-2545052-B1 IMIDAZOPYRIDINES SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2014-11-12 EP claimed