SCHEMBL7704232

SCHEMBL7704232

Cn1nc(CN2CCOCC2)cc1C1NCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.41
RECQL P46063 1/20 0.41
OPRM1 P35372 1/20 0.41
GAA P10253 1/20 0.40
GID4 Q8IVV7 1/20 0.39
CXCR4 P61073 1/20 0.39
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2A13 Q16696 1/20 0.34

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
SCHEMBL7704233 1.00 PRCP (0.41) PRCPRECQLOPRM1GAAGID4
SCHEMBL8509692 0.82 CXCR4 (0.39) CXCR4NPC1TP53TSHRMAPK1
SCHEMBL7702359 0.81 OPRM1 (0.41) PRCPRECQLOPRM1GAAGID4
SCHEMBL7702361 0.81 OPRM1 (0.41) PRCPRECQLOPRM1GAAGID4
SCHEMBL7699653 0.81 PRCP (0.48) PRCPRECQLOPRM1GAAGID4
SCHEMBL7699747 0.79 PRCP (0.46) PRCPRECQLGAAGID4TSHR
SCHEMBL7697968 0.77 PRCP (0.47) PRCPRECQLOPRM1GAAGID4
SCHEMBL7699151 0.77 OPRM1 (0.41) PRCPRECQLOPRM1GAAGID4
SCHEMBL7702406 0.77 OPRM1 (0.41) PRCPRECQLOPRM1GAAGID4
SCHEMBL7699153 0.77 OPRM1 (0.41) PRCPRECQLOPRM1GAAGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed