SCHEMBL19930207

SCHEMBL19930207

Cc1c2n(c3ccccc13)CCOC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRNA7 P36544 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR3 P46089 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYBB P04839 1/20 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
SCHEMBL4092019 0.80 ATM (0.38) HTR2AHTR2CKDM4EMAPTHTT
SCHEMBL19960978 0.80 HTR2A (0.36) HTR2AHTR2CKDM4EMAPTHTT
SCHEMBL18540624 0.78 HTR2A (0.58) HTR2AHTR2CKDM4EMAPTHTT
SCHEMBL18202161 0.78 PER2 (0.41) HTR2AHTR2CKDM4EALDH1A1POLB
SCHEMBL18202255 0.78 KCNK3 (0.39) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL31486825 0.76 HTR2A (0.56) HTR2AHTR2CKDM4EHTTALDH1A1
SCHEMBL31486896 0.75 HTT (0.43) HTR2AHTR2CKDM4EHTTALDH1A1
SCHEMBL1104626 0.74 HTR2A (0.66) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL30749787 0.74 HTR2A (0.66) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL18202158 0.73 PRKDC (0.42) ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed