SCHEMBL4034149

SCHEMBL4034149

C(=NCc1cc(C2CC2)no1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 1/20 0.33
IGF1R P08069 2/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
NOTUM Q6P988 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
CCR5 P51681 1/20 0.31
IL4I1 Q96RQ9 1/20 0.31
G6PC1 P35575 1/20 0.30
FAAH O00519 1/20 0.30
SLC6A3 Q01959 1/20 0.30
AVPR1A P37288 1/20 0.30
CNR2 P34972 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
SCHEMBL4034144 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CA2CA1IGF1RFGFR1
SCHEMBL3853725 0.87 SMN1; SMN2 (0.32) SMN1; SMN2CA2
SCHEMBL3853730 0.87 SMN1; SMN2 (0.32) SMN1; SMN2CA2
SCHEMBL4031821 0.77 MEN1 (0.46) SMN1; SMN2CA2CA1ALDH1A1LMNA
SCHEMBL4031823 0.77 MEN1 (0.46) SMN1; SMN2CA2CA1ALDH1A1LMNA
SCHEMBL3852793 0.74 CA12 (0.42) SMN1; SMN2CA2CA1NOTUMALDH1A1
SCHEMBL3852796 0.74 CA12 (0.42) SMN1; SMN2CA2CA1NOTUMALDH1A1
SCHEMBL4032553 0.71 CYP2C9 (0.58) SMN1; SMN2NOTUMALDH1A1LMNAL3MBTL1
SCHEMBL4032550 0.71 CYP2C9 (0.58) SMN1; SMN2NOTUMALDH1A1LMNAL3MBTL1
SCHEMBL3852598 0.67 NPC1 (0.38) SMN1; SMN2ALDH1A1L3MBTL1

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
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed