SCHEMBL11005247

SCHEMBL11005247

CC(C)(C)c1nc2c(N)nc(-c3ccncc3)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
LATS1 O95835 9/20 0.35
LATS2 Q9NRM7 6/20 0.35
PRKCI P41743 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCQ Q04759 1/20 0.34
ROCK1 Q13464 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL11000644 0.81 GSK3B (0.40) LATS1LATS2PRKCI
SCHEMBL11006980 0.80 MAPK14 (0.41) LATS1LATS2NPC1RAB9ALMNA
SCHEMBL11005615 0.78 ADORA2A (0.33) LATS1LATS2PRKCIMAPTROCK2
SCHEMBL11003505 0.77 GSK3B (0.43) LATS1LATS2PRKCI
SCHEMBL11005135 0.77 PDE3B (0.36) LATS1LATS2PRKCINPC1RAB9A
SCHEMBL11004647 0.77 ADORA2A (0.39) LATS1LATS2PRKCINPC1LMNA
SCHEMBL5021596 0.68 NUDT1 (0.41)
SCHEMBL11006461 0.66 MAPT (0.46) LATS1LATS2NPC1RAB9ALMNA
SCHEMBL13233285 0.65 KDM4E (0.49) BRAFNPC1RAB9ALMNATP53
SCHEMBL16097154 0.65 MAPT (0.43) NPC1RAB9ALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503228-A 2-(Pyridinyl)-4,5,6-pyrimidinetriamines STERLING DRUG INC. (US) 1985-03-05 US disclosed
US-4473571-A 8-Substituted-2-(4-pyridinyl)-9H-purin-6-amines and their cardiotonic use STERLING DRUG INC. (US) 1984-09-25 US disclosed