SCHEMBL3384941

SCHEMBL3384941

CCOC(=O)C(C(=O)OCC)c1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)c(C)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIT P10721 3/20 0.35
KDR P35968 3/20 0.35
TEK Q02763 3/20 0.35
SLC26A6 Q9BXS9 5/20 0.35
PRKCI P41743 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL3386489 0.92 PRKCI (0.40) ALDH1A1KDM4ECYP1A2CYP2C9HPGD
SCHEMBL2368411 0.89 SMN1; SMN2 (0.42) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4
SCHEMBL3384949 0.88 BCL2 (0.33) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4
SCHEMBL2369569 0.85 PRKCI (0.37) ALDH1A1NPSR1KDM4EHPGDKIT
SCHEMBL3387021 0.85 JAK2 (0.36) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4
SCHEMBL2369286 0.85 PRKCZ (0.37) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4
SCHEMBL3387429 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4
SCHEMBL3415627 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2PRKCIMAPT
SCHEMBL3386501 0.80 PRKCI (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2PRKCI
SCHEMBL3382770 0.80 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4ECYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed