SCHEMBL20037597

SCHEMBL20037597

CNc1ccc(CN2CCN(CCF)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 6/20 0.44
CDK4 P11802 3/20 0.44
CDK1 P06493 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND3 P30281 1/20 0.44
METTL3 Q86U44 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CCND1 P24385 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
KDR P35968 1/20 0.40
FGFR3 P22607 2/20 0.40
SSTR5 P35346 1/20 0.39
BTK Q06187 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL20038605 0.87 ALDH1A1 (0.50) CDK4METTL3HRH3CCND1MEN1
SCHEMBL20037430 0.85 ALDH1A1 (0.51) CDK6CDK4CCND3CCND1MEN1
SCHEMBL23296201 0.82 CDK6 (0.51) CDK6CDK4CDK1CCNA2CCND3
SCHEMBL18291395 0.82 HRH3 (0.43) HRH3MEN1KMT2AATM
SCHEMBL17828163 0.79 HRH3 (0.55) METTL3HRH3KMT2AKDRSSTR5
SCHEMBL20037687 0.79 MEN1 (0.67) HRH3MEN1KMT2AATMKDR
SCHEMBL20037730 0.79 METTL3 (0.42) CDK6CDK4METTL3HRH3CCND1
SCHEMBL20037948 0.79 HRH3 (0.43) CDK6CDK4CDK1CCNA2CCND3
SCHEMBL18291475 0.79 HRH3 (0.43) CDK6CDK4CDK1CCNA2CCND3
SCHEMBL18823130 0.79 TRPV6 (0.51) HRH3MEN1KMT2AATMKCNH2

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