SCHEMBL7702491

SCHEMBL7702491

Cc1cc(C2c3ccccc3CCN2C=CC=O)nn1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SIGMAR1 Q99720 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PRCP P42785 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KCNJ6 P48051 2/20 0.34
KCNJ3 P48549 2/20 0.34
KCNJ5 P48544 1/20 0.34
LMNA P02545 1/20 0.34
MTNR1B P49286 1/20 0.34
USP30 Q70CQ3 1/20 0.33
ESR1 P03372 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL7699773 0.76 PRCP (0.33) SIGMAR1PRCP
SCHEMBL7702779 0.74 LMNA (0.35) SMN1; SMN2PRCPALDH1A1LMNAKDM4E
SCHEMBL7701133 0.73 PRCP (0.54) PRCP
SCHEMBL7705532 0.73 HHAT (0.37) SIGMAR1GRIN1GRIN2BPRCP
SCHEMBL7705677 0.73 HHAT (0.37) SIGMAR1GRIN1GRIN2BPRCP
SCHEMBL7698083 0.73 FNTA (0.34) PRCP
SCHEMBL7706720 0.73 PRCP (0.38) SIGMAR1PRCPALDH1A1LMNAKDM4E
SCHEMBL8508347 0.72 SMN1; SMN2 (0.39) SMN1; SMN2CRHBPCRHR2SIGMAR1GRIN1
SCHEMBL7705565 0.72 CHRM3 (0.35) SIGMAR1PRCPALDH1A1KDM4E
SCHEMBL7699760 0.72 PRCP (0.36) PRCPLMNA

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
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
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed