SCHEMBL20214799

SCHEMBL20214799

COc1cc(C(=O)N2CCC([AsH2])C2)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
PIK3CD O00329 1/20 0.43
ACACB O00763 9/20 0.40
ACACA Q13085 9/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CAMK2D Q13557 3/20 0.37
KCNH2 Q12809 2/20 0.37
FYN P06241 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL20214798 1.00 CAMKK1 (0.45) CAMKK1CAMKK2PIK3CDACACBACACA
SCHEMBL20186464 0.90 CAMKK1 (0.45) CAMKK1CAMKK2PIK3CDACACBACACA
SCHEMBL20186469 0.90 CAMKK1 (0.45) CAMKK1CAMKK2PIK3CDACACBACACA
SCHEMBL20225403 0.86 PIK3CD (0.49) CAMKK1CAMKK2PIK3CDACACBACACA
SCHEMBL20186565 0.79 CAMKK1 (0.46) CAMKK1CAMKK2PIK3CDMAPTSMN1; SMN2
SCHEMBL20186158 0.79 CAMKK1 (0.46) CAMKK1CAMKK2PIK3CDMAPTSMN1; SMN2
SCHEMBL20186162 0.79 CAMKK1 (0.46) CAMKK1CAMKK2PIK3CDMAPTSMN1; SMN2
SCHEMBL20186619 0.78 CAMK2D (0.51) CAMK2DKCNH2
SCHEMBL20186622 0.78 CAMK2D (0.51) CAMK2DKCNH2
SCHEMBL20186664 0.77 CAMK2D (0.49) CAMKK1CAMKK2PIK3CDACACBACACA

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
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed