SCHEMBL28995653

SCHEMBL28995653

Cc1ccc2c(nc(C)n2N)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ GAA P10253 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL6643409 0.82 NOS2 (0.41) KDM4EMAPTMAPK1ALDH1A1RAB9A
SCHEMBL14301805 0.78 CYP1A2 (0.44) KDM4EMAPTMAPK1ALDH1A1RAB9A
SCHEMBL5144295 0.76 TLR8 (0.44) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL3294049 0.73 KMT2A (0.35) KDM4EMAPTMAPK1ALDH1A1RAB9A
SCHEMBL28566639 0.71 CLK4 (0.42) KDM4EMAPTMAPK1ALDH1A1RAB9A
SCHEMBL15174271 0.71 RPS6KA5 (0.41) KDM4EALDH1A1RAB9AEGFRGAA
SCHEMBL16739927 0.70 NOS3 (0.31) ALDH1A1NOS3NOS1NOS2
SCHEMBL5146857 0.69 CYP11B2 (0.40) KDM4EMAPTMAPK1ALDH1A1RAB9A
SCHEMBL5145732 0.69 NR1H2 (0.41) KDM4EALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL23459658 0.67 RPS6KA3 (0.38) KDM4EALDH1A1RAB9AHPGDHSD17B10

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
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 — — CN disclosed
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