SCHEMBL290560

SCHEMBL290560

O=C(O)c1sc(-c2ccc(-c3cc4ccccc4s3)s2)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.40
STK17B O94768 2/20 0.39
STK17A Q9UEE5 2/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
AURKB Q96GD4 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ACLY P53396 3/20 0.39
IKBKB O14920 3/20 0.39
HIPK4 Q8NE63 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
CYP19A1 P11511 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL290062 0.84 JAK2 (0.46) ALDH1A1MAPTLMNA
SCHEMBL290238 0.81 SMN1; SMN2 (0.56) BCL2L1CA12CA1CA2CA4
SCHEMBL4497703 0.75 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL289881 0.73 SMN1; SMN2 (0.61) BCL2L1CA12CA1CA2CA4
SCHEMBL20181224 0.73 KDM4E (0.46) ALDH1A1MAPTLMNA
SCHEMBL2787018 0.72 SMN1; SMN2 (0.41) STK17BSTK17ACAMKK1AURKBCAMKK2
SCHEMBL299482 0.72 APP (0.38) STK17BSTK17ACAMKK1AURKBCAMKK2
SCHEMBL26500221 0.72 APP (0.45) BCL2L1STK17BSTK17AIKBKBHIPK4
SCHEMBL5148513 0.71 APP (0.57) BCL2L1IKBKBCYP19A1CA12CA1
SCHEMBL27651550 0.71 APP (0.57) BCL2L1IKBKBCYP19A1CA12CA1

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed