SCHEMBL30670890

SCHEMBL30670890

Nc1ncnc2c1ncn2Cc1oc2ccccc2c(=O)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.47
▸ PI4KA P42356 3/20 0.47
▸ PI4K2B Q8TCG2 3/20 0.47
▸ PI4K2A Q9BTU6 3/20 0.47
▸ PI4KB Q9UBF8 3/20 0.47
▸ LMNA P02545 2/20 0.45
▸ NSD2 O96028 2/20 0.45
▸ NSD3 Q9BZ95 1/20 0.45
▸ PIK3CD O00329 5/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ EGFR P00533 3/20 0.41
▸ PIK3R1 P27986 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL8166 1.00 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29651680 0.93 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8577 0.93 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8426 0.91 PIK3CD (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30013691 0.91 PIK3CD (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8117 0.91 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8903 0.90 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30013159 0.90 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9275 0.89 NSD2 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11267 0.89 LMNA (0.45) LMNAMAPK14SMN1; SMN2ALDH1A1

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
CN-117222413-A Methods and combinations for treating tumors 同润生物医药(上海)有限公司 2023-12-12 — — CN claimed
CN-117222413-A Methods and combinations for treating tumors 同润生物医药(上海)有限公司 2023-12-12 — — CN disclosed
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