SCHEMBL7005965

SCHEMBL7005965

Nc1ncnc2c1c(-c1ccc(NC(=O)c3ccc(Cl)cc3)c(O)c1)cn2C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.57
SRC P12931 9/20 0.57
ABL1 P00519 8/20 0.57
ABL2 P42684 8/20 0.57
KDR P35968 6/20 0.56
LCK P06239 4/20 0.56
RET P07949 3/20 0.56
KIF5B P33176 3/20 0.56
FLT3 P36888 2/20 0.56
LYN P07948 2/20 0.56
JAK2 O60674 1/20 0.56
NTRK1 P04629 1/20 0.56
INSR P06213 1/20 0.56
NPM1 P06748 1/20 0.56
CSF1R P07333 1/20 0.56
IGF1R P08069 1/20 0.56
MET P08581 1/20 0.56
ROS1 P08922 1/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56

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
SCHEMBL7006750 0.91 SRC (0.61) EGFRSRCABL1ABL2KDR
SCHEMBL12934112 0.84 SRC (0.56) EGFRSRCABL1ABL2KDR
SCHEMBL7010062 0.82 LCK (0.63) EGFRSRCABL1KDRLCK
SCHEMBL7005371 0.81 TEK (0.61) EGFRSRCABL1ABL2KDR
SCHEMBL8142188 0.79 EGFR (0.59) EGFRSRCABL1ABL2KDR
SCHEMBL12934115 0.79 SRC (0.75) EGFRSRCABL1ABL2KDR
SCHEMBL13020005 0.78 SRC (0.78) EGFRSRCABL1ABL2KDR
SCHEMBL19973400 0.78 SRC (0.70) EGFRSRCABL1ABL2KDR
SCHEMBL2074774 0.77 TEK (0.56) EGFRSRCABL1ABL2KDR
SCHEMBL7006736 0.77 TEK (0.65) EGFRSRCABL1ABL2KDR

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-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed