SCHEMBL8819968

SCHEMBL8819968

Nc1ncnc2c(C3CCCC3)cn(-c3cccc(O)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.42
EGFR P00533 4/20 0.42
SRC P12931 4/20 0.42
ABL2 P42684 4/20 0.42
IGF1R P08069 2/20 0.42
FGFR1 P11362 2/20 0.42
RET P07949 2/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
NPM1 P06748 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
ROS1 P08922 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL8819936 0.89 SRC (0.35) ABL1EGFRSRCABL2IGF1R
SCHEMBL8820819 0.86 PI4KA (0.50) IGF1RMETTL3ADKPI4KAPI4K2B
SCHEMBL8820010 0.86 EGFR (0.43) ABL1EGFRSRCABL2RET
SCHEMBL8819553 0.78 RET (0.40) ABL1EGFRSRCABL2RET
SCHEMBL5250649 0.76 TNK2 (0.47) EGFRSRCLCKLYNKDR
SCHEMBL23847508 0.76 TNK2 (0.48) EGFRSRCLCKLYNKDR
SCHEMBL8819665 0.75 SRC (0.53) ABL1EGFRSRCABL2KDR
SCHEMBL8820773 0.75 PIK3CD (0.41) ABL1EGFRSRCABL2FGFR1
SCHEMBL8819680 0.75 SRC (0.36) ABL1EGFRSRCABL2IGF1R
SCHEMBL8819946 0.74 BTK (0.43) EGFRSRCRETPI4KAPI4K2B

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
WO-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO claimed