SCHEMBL8138258

SCHEMBL8138258

NC(=O)c1ccccc1-c1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.63
EGFR P00533 12/20 0.63
ABL1 P00519 11/20 0.63
ABL2 P42684 11/20 0.63
LCK P06239 6/20 0.63
KDR P35968 5/20 0.63
LYN P07948 2/20 0.63
IGF1R P08069 2/20 0.63
JAK2 O60674 1/20 0.63
NTRK1 P04629 1/20 0.63
INSR P06213 1/20 0.63
NPM1 P06748 1/20 0.63
CSF1R P07333 1/20 0.63
RET P07949 1/20 0.63
MET P08581 1/20 0.63
ROS1 P08922 1/20 0.63
PDGFRB P09619 1/20 0.63
KIT P10721 1/20 0.63
BCR P11274 1/20 0.63
FGFR1 P11362 1/20 0.63

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
SCHEMBL8142188 0.88 EGFR (0.59) SRCEGFRABL1ABL2LCK
SCHEMBL12934115 0.82 SRC (0.75) SRCEGFRABL1ABL2LCK
SCHEMBL7855166 0.81 LCK (0.55) SRCEGFRABL1ABL2LCK
SCHEMBL7006750 0.79 SRC (0.61) SRCEGFRABL1ABL2LCK
SCHEMBL12934136 0.78 TEK (0.62) SRCEGFRABL1ABL2LCK
SCHEMBL6870684 0.77 SRC (0.77) SRCEGFRABL1ABL2LCK
SCHEMBL7006736 0.77 TEK (0.65) SRCEGFRABL1ABL2LCK
SCHEMBL23847632 0.77 SRC (0.76) SRCEGFRABL1ABL2LCK
SCHEMBL5936173 0.76 SRC (0.97) SRCEGFRABL1ABL2LCK
SCHEMBL12438228 0.76 ABL1 (1.00) SRCEGFRABL1ABL2LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed