SCHEMBL18291395

SCHEMBL18291395

Cc1ccc(CN2CCN(CCF)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HTR1D P28221 4/20 0.41
HTR1B P28222 3/20 0.41
HTR1A P08908 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH1 P35367 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HTR6 P50406 2/20 0.40
CA2 P00918 1/20 0.39
NCF1 P14598 1/20 0.39
CHKA P35790 1/20 0.39
PRMT6 Q96LA8 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
SCHEMBL20038580 0.88 HRH3 (0.43) HRH3MEN1KMT2AATMHTR1D
SCHEMBL18291580 0.86 ALDH1A1 (0.45) HRH3MEN1KMT2AATMALDH1A1
SCHEMBL14308131 0.85 LMNA (0.54) HRH3MEN1KMT2AATMALDH1A1
SCHEMBL26944345 0.85 KMT2A (0.46) HRH3MEN1KMT2AATMTLR9
SCHEMBL18291650 0.84 ALDH1A1 (0.54) HRH3MEN1KMT2AATMALDH1A1
SCHEMBL1666554 0.82 ALDH1A1 (0.61) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL18291306 0.82 HRH3 (0.48) HRH3MEN1KMT2AATMALDH1A1
SCHEMBL20037597 0.82 CDK6 (0.44) HRH3MEN1KMT2AATM
SCHEMBL4554100 0.82 CHRNB2 (0.56) HRH3ALDH1A1KDM4ENCF1
SCHEMBL12049097 0.82 CHRNB2 (0.51) HRH3MEN1KMT2AATMALDH1A1

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
WO-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed