SCHEMBL3752771

SCHEMBL3752771

COC(=O)c1cc(C#C[Si](C)(C)C)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ NQO2 P16083 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 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
SCHEMBL3753277 0.82 MAPK1 (0.47) MAPK1ATMKDM4EALDH1A1MAPT
SCHEMBL3748828 0.80 ALDH1A1 (0.43) MAPK1KDM4EALDH1A1MAPTTP53
SCHEMBL3804631 0.80 PDE2A (0.53) MAPK1ATMKDM4EALDH1A1MAPT
SCHEMBL31325228 0.76 KDM4E (0.39) MAPK1ATMKDM4EALDH1A1MAPT
SCHEMBL8175471 0.75 MAPT (0.46) KDM4EALDH1A1MAPTTP53HPGD
SCHEMBL4826028 0.73 KDM4E (0.50) MAPK1KDM4EALDH1A1MAPTTP53
SCHEMBL28788055 0.73 PDE2A (0.38) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL23015355 0.72 MAPK1 (0.40) MAPK1KDM4EMAPTTP53HSD17B10
SCHEMBL3808604 0.72 KDM4E (0.42) MAPK1ATMKDM4EALDH1A1MAPT
SCHEMBL7388810 0.71 PDE2A (0.32) —

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
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 — — EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 — — WO disclosed
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