SCHEMBL7842356

SCHEMBL7842356

Nc1ncnc2c1c(-c1ccc(F)cc1)cn2-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.82
EGFR P00533 11/20 0.82
ABL1 P00519 8/20 0.82
ABL2 P42684 8/20 0.82
KDR P35968 6/20 0.82
CDK1 P06493 6/20 0.82
TP53 P04637 1/20 0.60
CSK P41240 2/20 0.57
MAPT P10636 1/20 0.57
PDE11A Q9HCR9 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL7843429 0.93 SRC (0.70) SRCEGFRABL1ABL2KDR
SCHEMBL5936176 0.90 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL31061695 0.90 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL20351594 0.89 SRC (0.86) SRCEGFRABL1ABL2KDR
SCHEMBL7845787 0.88 SRC (0.84) SRCEGFRABL1ABL2KDR
SCHEMBL2800044 0.86 SRC (0.60) SRCEGFRABL1ABL2KDR
SCHEMBL15934520 0.85 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL11922280 0.85 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL7847551 0.85 SRC (0.91) SRCEGFRABL1ABL2KDR
SCHEMBL7848142 0.84 SRC (1.00) SRCEGFRABL1ABL2KDR

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-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP 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