SCHEMBL7842340

SCHEMBL7842340

N#Cc1c(-c2cccc(Cl)c2)cn(-c2ccccc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
SRC P12931 1/20 0.52
KDR P35968 1/20 0.52
ABL2 P42684 1/20 0.52
ADORA1 P30542 6/20 0.50
ADORA2A P29274 6/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ADORA2B P29275 2/20 0.50
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7835925 0.86 CA12 (0.54) CA12CA1CA2CA9ABL1
SCHEMBL7847918 0.81 SRC (0.55) ABL1EGFRSRCABL2ADORA1
SCHEMBL7841305 0.78 CA12 (0.47) CA12CA1CA2CA9ADORA1
SCHEMBL7834905 0.77 CA12 (0.52) CA12CA1CA2CA9ADORA1
SCHEMBL7841566 0.75 ADORA2A (0.50) CA12CA1CA2CA9ABL1
SCHEMBL7835893 0.75 KDM4E (0.50) CA12CA1CA2CA9SRC
SCHEMBL7836453 0.74 AS3MT (0.42) CA12CA1CA2CA9ABL1
SCHEMBL1902613 0.74 CA12 (0.56) CA12CA1CA2CA9ABL1
SCHEMBL7835887 0.73 IKBKB (0.50) CA12CA1CA2CA9SRC
SCHEMBL7834532 0.72 EGFR (0.48) CA12CA1CA2CA9EGFR

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-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
CN-1046731-C Pyrrolo [2,3-d ] pyrimidines and their use NOVARTIS AG (CH) 1999-11-24 CN disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
CN-1164234-A Pyrrolo [2, 3-d ] pyrimidines and their use NOVARTIS AG (CH) 1997-11-05 CN 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