SCHEMBL20037550

SCHEMBL20037550

CNc1ccc(N2CCN(CC(=O)N3CCCC3)CC2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
MRGPRX1 Q96LB2 1/20 0.44
BPTF Q12830 1/20 0.44
DCK P27707 1/20 0.42
DPP4 P27487 1/20 0.42
AURKA O14965 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
RET P07949 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
PANK3 Q9H999 1/20 0.39

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
SCHEMBL20038458 0.81 GFER (0.52) GFERSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL20249398 0.80 GFER (0.49) GFERSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL18912708 0.78 CYP1A2 (0.52) SMN1; SMN2ALDH1A1KDM4EBPTF
SCHEMBL26739775 0.76 CYP1A2 (0.55) SMN1; SMN2KDM4EBPTF
SCHEMBL22489681 0.73 PANK3 (0.58) SMN1; SMN2MEN1KMT2ABPTFPANK3
SCHEMBL22489691 0.73 PANK3 (0.59) PANK3
SCHEMBL18291681 0.72 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ETDP1MEN1
SCHEMBL9210914 0.72 RAB9A (0.60) GFERSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL25590723 0.72 KDM4E (0.47) ALDH1A1KDM4EBPTF
SCHEMBL20037716 0.71 BPTF (0.44) SMN1; SMN2KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed