SCHEMBL7841930

SCHEMBL7841930

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
EGFR P00533 11/20 1.00
ABL1 P00519 9/20 1.00
ABL2 P42684 9/20 1.00
CDK1 P06493 4/20 1.00
CSK P41240 2/20 1.00
KDR P35968 5/20 0.80

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
SCHEMBL7845036 0.94 SRC (0.88) SRCEGFRABL1ABL2CDK1
SCHEMBL7833894 0.92 SRC (0.84) SRCEGFRABL1ABL2CDK1
SCHEMBL7847860 0.90 SRC (0.81) SRCEGFRABL1ABL2CDK1
Hydrochloric Acid SCHEMBL7844055 0.88 SRC (0.98) SRCEGFRABL1ABL2CDK1
SCHEMBL12856440 0.87 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7847078 0.85 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL7835361 0.85 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7846229 0.85 SRC (0.85) SRCEGFRABL1ABL2CDK1
SCHEMBL7842382 0.84 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7843548 0.84 SRC (0.72) SRCEGFRABL1ABL2CDK1

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 1 patent. 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