SCHEMBL21236592

SCHEMBL21236592

C=Nc1cc(-c2ccc(C)cc2F)nn1CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ HDAC1 Q13547 4/20 0.34
▸ KDM1A O60341 3/20 0.34
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL21236174 0.81 FASN (0.32) —
SCHEMBL23953795 0.76 ESR2 (0.32) —
SCHEMBL21236590 0.72 — —
SCHEMBL21236591 0.71 CYP11B1 (0.32) —
SCHEMBL23953794 0.71 SUV39H2 (0.37) —
SCHEMBL19936551 0.65 TLR8 (0.38) LMNATGFBR1MEN1KMT2AMAPT
SCHEMBL21236158 0.65 ADORA2A (0.32) —
SCHEMBL13520606 0.64 GRM2 (0.44) MEN1KMT2ATP53
SCHEMBL24119878 0.63 MAPT (0.35) LMNAMEN1KMT2AMAPTHTR2C
SCHEMBL3436157 0.63 CA9 (0.48) LMNAMEN1KMT2AMAPTTP53

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-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 — — EP disclosed
WO-2019149734-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2019-08-08 — — WO disclosed
Send feedback