SCHEMBL7833643

SCHEMBL7833643

CC(C)C(C(N)=O)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.39
P2RX7 Q99572 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PTGER3 P43115 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX5 P09917 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL1483488 0.78 EPHX1 (0.37) P2RX7ALDH1A1ALOX5MKNK1MKNK2
SCHEMBL15061182 0.73 FFAR2 (0.42) FFAR2LMNAPTGER3
SCHEMBL2177883 0.71 P2RX7 (0.37) P2RX7LMNATSHRALDH1A1MKNK1
SCHEMBL2177879 0.71 P2RX7 (0.37) P2RX7LMNATSHRALDH1A1MKNK1
SCHEMBL4651196 0.70 PDPK1 (0.39) FFAR2PTGER3ALDH1A1ALOX5KDM4E
SCHEMBL18128788 0.69 ADORA3 (0.44) FFAR2LMNATSHRALDH1A1KDM4E
SCHEMBL2431567 0.69 P2RX7 (0.36) P2RX7LMNAALDH1A1KDM4EHTT
SCHEMBL29106359 0.69 LMNA (0.37) P2RX7LMNATSHRALDH1A1ALOX5
SCHEMBL28909154 0.69 FFAR2 (0.47) FFAR2ALDH1A1KDM4ECYP3A4
SCHEMBL6501464 0.69 ADORA1 (0.50) TSHRALDH1A1KDM4E

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-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed