SCHEMBL7834532

SCHEMBL7834532

Cc1ccccc1-c1cn(-c2ccccc2)c(N)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
CDK1 P06493 1/20 0.48
SRC P12931 1/20 0.48
ALDH1A1 P00352 7/20 0.44
LMNA P02545 5/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6381409 0.84 ALDH1A1 (0.51) ALDH1A1LMNACA12CA1CA2
SCHEMBL7841305 0.82 CA12 (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL27336028 0.82 SRC (0.51) SRCALDH1A1LMNACA12CA1
SCHEMBL7835925 0.81 CA12 (0.54) EGFRCDK1SRCALDH1A1LMNA
SCHEMBL27523844 0.80 CA12 (0.40) EGFRCDK1SRCALDH1A1LMNA
SCHEMBL7834905 0.75 CA12 (0.52) ALDH1A1LMNACA12CA1CA2
SCHEMBL7841566 0.74 ADORA2A (0.50) EGFRCDK1SRCALDH1A1LMNA
SCHEMBL7847918 0.72 SRC (0.55) EGFRCDK1SRCALDH1A1LMNA
SCHEMBL27195209 0.70 CA12 (0.44) EGFRSRCALDH1A1LMNACA12
SCHEMBL29993462 0.69 LMNA (0.51) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2

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