SCHEMBL7144064

SCHEMBL7144064

FC(F)(F)Oc1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GRIN2B Q13224 3/20 0.38
KDM1A O60341 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
CCR6 P51684 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
KIF11 P52732 1/20 0.33
EPHX2 P34913 1/20 0.33
P2RY1 P47900 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
SCHEMBL7143061 0.81 GID4 (0.48) MEN1KMT2AKDM1A
SCHEMBL7143634 0.81 HTR2C (0.38) MEN1KMT2AKDM1AKIF11
SCHEMBL7143628 0.81 HTR2C (0.38) MEN1KMT2AKDM1AKIF11
SCHEMBL13728946 0.81 NISCH (0.35) GRIN2BKDM1ANISCHOPRM1OPRD1
SCHEMBL7142182 0.79 PRCP (0.44) ATM
SCHEMBL7142187 0.79 PRCP (0.44) ATM
SCHEMBL7138440 0.78 PRCP (0.38) MEN1KMT2A
SCHEMBL4273307 0.77 PRCP (0.45) MEN1KMT2AKDM1A
SCHEMBL7145701 0.76 PRCP (0.44) KMT2A
SCHEMBL7143821 0.76 KDM1A (0.37) KMT2AKDM1ANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
CN-1091109-C Substituted 2, 4-diaminopyrimidines BASLIER PHARMACEUTICALS AG (CH) 2002-09-18 CN disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
CN-1249751-A Substituted 2, 4-diaminopyrimidines HOFFMANN LA ROCHE (CH) 2000-04-05 CN disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed