SCHEMBL7847645

SCHEMBL7847645

COc1cccc(-c2cn(-c3ccc(OCCNCCO)cc3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 1.00
ABL1 P00519 6/20 0.80
EGFR P00533 6/20 0.80
ABL2 P42684 6/20 0.80
MPO P05164 1/20 0.70
TPO P07202 1/20 0.70
KCNH2 Q12809 1/20 0.70
CDK1 P06493 2/20 0.67

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
SCHEMBL7845672 0.94 SRC (0.89) SRCABL1EGFRABL2MPO
SCHEMBL29802962 0.93 SRC (0.88) SRCABL1EGFRABL2CDK1
SCHEMBL677641 0.93 SRC (0.88) SRCABL1EGFRABL2CDK1
SCHEMBL7843527 0.92 SRC (0.85) SRCABL1EGFRABL2CDK1
SCHEMBL7835317 0.90 SRC (1.00) SRCABL1EGFRABL2MPO
SCHEMBL7847655 0.90 SRC (0.82) SRCABL1EGFRABL2CDK1
SCHEMBL7846229 0.89 SRC (0.85) SRCABL1EGFRABL2MPO
SCHEMBL7843346 0.89 SRC (0.80) SRCABL1EGFRABL2MPO
SCHEMBL12856440 0.89 SRC (1.00) SRCABL1EGFRABL2CDK1
SCHEMBL7835919 0.86 SRC (0.76) SRCABL1EGFRABL2CDK1

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