SCHEMBL19670210

SCHEMBL19670210

Cn1ccc(NC2OC2N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ PIM1 P11309 7/20 0.34
▸ IDH2 P48735 6/20 0.34
▸ MAP3K12 Q12852 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL19670326 0.86 SCN9A (0.35) CNR2CNR1PIM1IDH2
SCHEMBL19670568 0.84 IDH2 (0.38) CNR2CNR1IDH2KDM4EHPGD
SCHEMBL19670197 0.83 CNR2 (0.35) CNR2CNR1IDH2KDM1AKDM4E
SCHEMBL19670566 0.82 IDH2 (0.35) CNR2CNR1IDH2KDM1APIM2
SCHEMBL19670330 0.82 IDH2 (0.36) CNR2CNR1IDH2KDM4EHPGD
SCHEMBL19670570 0.81 IDH2 (0.36) CNR2CNR1IDH2PIM2KDM4E
SCHEMBL17618370 0.80 IDH2 (0.39) IDH2KDM1AKDM4E
SCHEMBL17618359 0.75 KMT2A (0.39) IDH2KDM1AKDM4E
SCHEMBL20632424 0.73 KDM1A (0.46) CNR2CNR1IDH2KDM1AKDM4E
SCHEMBL17618372 0.70 IDH2 (0.40) IDH2KDM4E

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
Send feedback