SCHEMBL28821019

SCHEMBL28821019

[CH2]Cc1cnc2ccc(Cl)nc2c1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 9/20 0.45
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MTOR P42345 2/20 0.41
▸ IDH2 P48735 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ APP P05067 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ P2RX3 P56373 1/20 0.40

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
SCHEMBL16804753 0.89 MTOR (0.43) CTSCTP53MAPTSMN1; SMN2MTOR
SCHEMBL16086165 0.88 IDH2 (0.44) CTSCTP53MAPTSMN1; SMN2MTOR
SCHEMBL14978436 0.83 CTSC (0.44) CTSCTP53MAPTSMN1; SMN2MTOR
SCHEMBL27930761 0.83 MTOR (0.39) CTSCTP53MAPTSMN1; SMN2MTOR
SCHEMBL15615876 0.80 MPO (0.51) CTSCTP53MAPTSMN1; SMN2MTOR
SCHEMBL15615888 0.78 LMNA (0.53) TP53MAPTMTORIDH2
SCHEMBL15615882 0.77 MAPT (0.52) TP53MAPTSMN1; SMN2
SCHEMBL15615969 0.72 CNR2 (0.58) APP
SCHEMBL2163621 0.71 PIM1 (0.50) CTSCTP53MAPTSMN1; SMN2IDH2
SCHEMBL27951117 0.68 MELK (0.32) EGFR

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
CN-104884456-A Pi3k and/or mtor inhibitor KBP BIOSCIENCES CO LTD 2015-09-02 — — CN disclosed
Send feedback