SCHEMBL21704211

SCHEMBL21704211

Cc1ncc2c(N)c(N)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
NOS1 P29475 1/20 0.33
IKBKB O14920 2/20 0.33
LIMK1 P53667 2/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.30

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
SCHEMBL21703985 0.85 LIMK1 (0.34) KDM4EALDH1A1SMN1; SMN2LMNANOS1
SCHEMBL20731982 0.71 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2LMNAIKBKB
SCHEMBL23938014 0.67 LIMK1 (0.33) KDM4EALDH1A1SMN1; SMN2NOS1IKBKB
SCHEMBL20731141 0.67 USP25 (0.38)
SCHEMBL16919863 0.67 GPR3 (0.45) KDM4EALDH1A1SMN1; SMN2LMNALIMK1
SCHEMBL5534850 0.67 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNANOS1NPC1
SCHEMBL20731139 0.65 IKBKB (0.37) KDM4EALDH1A1SMN1; SMN2NOS1IKBKB
SCHEMBL17813446 0.64 PDK2 (0.32) PDK2
SCHEMBL3445191 0.64 PDK2 (0.32) ALDH1A1SMN1; SMN2MAPTHSD17B10PDK2
SCHEMBL20731980 0.63 USP28 (0.39) KDM4EALDH1A1SMN1; SMN2IKBKBLIMK1

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed