SCHEMBL6531933

SCHEMBL6531933

COc1cc2c([AsH]c3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.70
▸ KDR P35968 7/20 0.55
▸ EGFR P00533 3/20 0.52
▸ KDM1A O60341 1/20 0.51
▸ ATM Q13315 1/20 0.49

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
SCHEMBL6528725 0.93 SRC (0.60) SRCKDREGFR
SCHEMBL3677246 0.82 SRC (1.00) SRCKDREGFR
SCHEMBL4388812 0.76 SRC (0.61) SRCKDREGFRKDM1A
SCHEMBL3674907 0.75 SRC (0.86) SRCKDREGFR
SCHEMBL4376854 0.75 SRC (0.65) SRCKDREGFRKDM1AATM
SCHEMBL3730315 0.74 SRC (0.85) SRCKDREGFR
SCHEMBL4384520 0.74 SRC (0.60) SRCKDREGFRKDM1A
SCHEMBL3680459 0.74 SRC (0.85) SRCKDREGFR
SCHEMBL4379769 0.74 SRC (0.60) SRCKDREGFRKDM1A
Hydrochloric Acid SCHEMBL4379495 0.74 SRC (0.74) SRCKDREGFR

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-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 — — EP disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 — — WO disclosed
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