SCHEMBL21183052

SCHEMBL21183052

Cc1cc(Nc2nc(N)c(C=N)c(Nc3ccccc3SC(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.55
▸ INSR P06213 17/20 0.55
▸ NPM1 P06748 8/20 0.55
▸ KCNH2 Q12809 5/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ ABL1 P00519 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ RET P07949 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ MET P08581 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ PLK1 P53350 1/20 0.52
▸ EPHB4 P54760 1/20 0.52
▸ BTK Q06187 1/20 0.52

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
SCHEMBL22985906 0.92 ALK (0.46) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL18457930 0.86 ALK (0.74) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21539062 0.86 ALK (0.54) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL21099672 0.82 ALK (0.58) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245787 0.82 ALK (0.75) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL17613285 0.81 ALK (0.55) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL14479213 0.80 ALK (0.56) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL23010799 0.78 EGFR (0.49) ALKINSRNPM1ABL1EGFR
SCHEMBL21099420 0.77 ALK (0.52) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL3960696 0.77 ALK (0.68) ALKINSRNPM1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560959-B1 ANTIBODY MOLECULES TO TIM-3 AND USES THEREOF NOVARTIS AG (CH) 2023-11-22 — — EP disclosed
EP-3878465-A1 COMBINATION THERAPIES COMPRISING ANTIBODY MOLECULES TO TIM-3 Novartis AG (CH) 2021-09-15 — — EP disclosed
EP-3317301-B1 COMBINATION THERAPIES COMPRISING ANTIBODY MOLECULES TO LAG-3 NOVARTIS AG (CH) 2021-04-07 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3660050-A1 ANTIBODY MOLECULES TO LAG-3 AND USES THEREOF Novartis AG (CH) 2020-06-03 — — EP disclosed
EP-3514179-A1 ANTIBODY MOLECULES TO PD-1 AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-07-24 — — EP disclosed
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