SCHEMBL21636908

SCHEMBL21636908

Nc1cncnc1NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.58
▸ CYP3A4 P08684 10/20 0.58
▸ CYP2D6 P10635 9/20 0.58
▸ CYP2C19 P33261 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ TSHR P16473 6/20 0.58
▸ ALOX15 P16050 5/20 0.58
▸ HSD17B10 Q99714 5/20 0.57
▸ MAPK1 P28482 4/20 0.55
▸ CLK4 Q9HAZ1 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ EGFR P00533 5/20 0.54
▸ HPGD P15428 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ GALR3 O60755 2/20 0.51

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
SCHEMBL10874378 0.84 HTT (0.52) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL10875900 0.80 EGFR (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL3712006 0.77 RPS6KB1 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL11716564 0.77 EGFR (0.51) ALDH1A1TSHRMAPK1LMNAEGFR
SCHEMBL6285864 0.76 BACE1 (0.65) ALDH1A1TSHRMAPK1LMNAEGFR
SCHEMBL31631318 0.76 BACE1 (0.65) ALDH1A1TSHRMAPK1LMNAEGFR
SCHEMBL10877514 0.75 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL10875724 0.75 POLB (0.58) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL12069119 0.74 APP (0.55) LMNAEGFR
SCHEMBL16489595 0.74 NOS2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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-2020016605-A1 POLYNUCLEOTIDE SYNTHESIS METHOD, KIT AND SYSTEM OXFORD NANOPORE TECHNOLOGIES LIMITED (GB) 2020-01-23 — — WO disclosed
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