SCHEMBL7835893

SCHEMBL7835893

N#Cc1c(-c2ccccc2)cn(-c2cccc(C(=O)O)c2)c1N.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
IKBKB O14920 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SRC P12931 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7835887 0.88 IKBKB (0.50) KDM4EGAAMEN1GLACRHBP
SCHEMBL7834913 0.84 KDM4E (0.51) KDM4EALDH1A1SRCHPGDLMNA
SCHEMBL7835925 0.82 CA12 (0.54) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL7834905 0.73 CA12 (0.52) KDM4EGAAALDH1A1TSHRCA12
SCHEMBL3092189 0.73
SCHEMBL1907296 0.72 SRC (0.45) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL1902613 0.71 CA12 (0.56) KDM4EMEN1KMT2AALDH1A1CA12
SCHEMBL7844144 0.70 SRC (0.78) SRC
SCHEMBL7841566 0.69 ADORA2A (0.50) KDM4EGLAALDH1A1CA12CA1
SCHEMBL188401 0.69 RORC (0.56)

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-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed