SCHEMBL10299334

SCHEMBL10299334

CCc1cc2c(c(OC(C)C)c(C(=O)NCCN(C)C)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PKM P14618 1/20 0.33

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
SCHEMBL12825647 0.94 KMT2A (0.34) MKNK1MKNK2EIF4EHPGDKDM4E
SCHEMBL10299320 0.92 POLB (0.41) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL10299318 0.88 MKNK1 (0.36) MKNK1MKNK2EIF4EHPGDKDM4E
SCHEMBL10003784 0.86 HTR3A (0.45) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL12019564 0.86 CXCR3 (0.34) ALDH1A1BRPF1PIK3CB
SCHEMBL10299336 0.86 LMNA (0.35) HPGDALDH1A1POLBSMOPIK3CB
SCHEMBL10299326 0.86 AHR (0.40) ALDH1A1POLBTP53MAPT
SCHEMBL12020094 0.85 SMO (0.36) HPGDALDH1A1SMOTP53MAPT
SCHEMBL10299353 0.84 ALDH1A1 (0.42) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL10003727 0.83 HKDC1 (0.37) HPGDKDM4EALDH1A1SMO

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
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
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