SCHEMBL93738

SCHEMBL93738

CC(Nc1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.86
KDR P35968 6/20 0.86
ERBB2 P04626 4/20 0.86
STK10 O94804 1/20 0.86
MAP4K4 O95819 1/20 0.86
ABL1 P00519 1/20 0.86
YES1 P07947 1/20 0.86
RET P07949 1/20 0.86
PDGFRB P09619 1/20 0.86
BCR P11274 1/20 0.86
FLT1 P17948 1/20 0.86
ERBB3 P21860 1/20 0.86
WEE1 P30291 1/20 0.86
ABL2 P42684 1/20 0.86
NEK3 P51956 1/20 0.86
LIMK1 P53667 1/20 0.86
LIMK2 P53671 1/20 0.86
EPHB4 P54760 1/20 0.86
ACVR1 Q04771 1/20 0.86
TNK2 Q07912 1/20 0.86

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
SCHEMBL93737 1.00 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29478848 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613755 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29973591 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29389001 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613756 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL1738023 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
SCHEMBL27585261 0.93 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL4767093 0.93 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL4897881 0.92 EGFR (0.82) EGFRKDRERBB2STK10MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP claimed
EP-3296905-B1 METHOD FOR IDENTIFYING NEW MARKERS ALACRIS THERANOSTICS GMBH (DE) 2023-11-08 EP disclosed
EP-3296905-A1 METHOD FOR IDENTIFYING NEW MARKERS Alacris Theranostics GmbH (DE) 2018-03-21 EP disclosed
WO-2012028334-A2 MARKER FOR SUNITINIB RESISTANCE FORMATION MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 WO disclosed
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed
EP-2426213-A1 Marker for sunitnib resistance formation Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed