SCHEMBL19309704

SCHEMBL19309704

C1=CC=Cc2c(sc3ncccc23)N=1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 3/20 0.35
▸ CLK1 P49759 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL19309843 0.77 LIMK1 (0.35) LIMK1CLK1
SCHEMBL4903332 0.67 LIMK1 (0.50) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL21515908 0.62 — —
SCHEMBL18935459 0.62 CA12 (0.30) —
SCHEMBL19721362 0.59 HPGD (0.36) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL21315919 0.59 LIMK1 (0.35) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL19721360 0.59 HPGD (0.36) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL24623623 0.59 LIMK1 (0.51) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL3378060 0.59 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7
SCHEMBL30376713 0.59 GPR3 (0.54) LIMK1CLK1IKBKBCHUKCDC7

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
US-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 — — US disclosed
Send feedback