SCHEMBL21135595

SCHEMBL21135595

CC1CCN(Cc2ccc3nc(NC(=O)c4ccc(F)cc4)n(C4CCC(C(O)NC(C)C)CC4)c3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.69
▸ SPR P35270 2/20 0.67
▸ INSR P06213 2/20 0.66
▸ LCK P06239 2/20 0.66
▸ LTK P29376 2/20 0.66
▸ AXL P30530 2/20 0.66
▸ IRAK1 P51617 2/20 0.66
▸ MAP4K2 Q12851 2/20 0.66
▸ MERTK Q12866 2/20 0.66
▸ NTRK1 P04629 1/20 0.66
▸ FLT3 P36888 1/20 0.66

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
SCHEMBL21135589 0.88 ALK (0.88) ALKSPRINSRLCKLTK
SCHEMBL23915691 0.88 ALK (0.88) ALKSPRINSRLCKLTK
SCHEMBL21759921 0.81 ALK (1.00) ALKSPRINSRLCKLTK
SCHEMBL24046489 0.81 ALK (1.00) ALKSPRINSRLCKLTK
SCHEMBL10270586 0.81 ALK (0.85) ALKSPRINSRLCKLTK
SCHEMBL10270812 0.80 SPR (1.00) ALKSPRINSRLCKLTK
SCHEMBL23810096 0.80 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL23810121 0.80 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL10270232 0.80 ALK (0.85) ALKSPRINSRLCKLTK
SCHEMBL15192876 0.80 ALK (0.85) ALKSPRINSRLCKLTK

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-2019113071-A1 COMPOSITIONS AND METHODS FOR TREATING ALK-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-06-13 — — WO disclosed
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