SCHEMBL30606972

SCHEMBL30606972

CCCCOC(=O)N1CC=C(c2cc(Cl)nnc2N)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SLC6A15 Q9H2J7 2/20 0.35
JAK1 P23458 7/20 0.35
BTK Q06187 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KIT P10721 1/20 0.34
CNR1 P21554 1/20 0.34
JAK2 O60674 5/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18081229 0.82 PDK4 (0.51) JAK1BTKCNR1
SCHEMBL29910537 0.82 PDK4 (0.51) JAK1BTKCNR1
SCHEMBL18081230 0.81 QDPR (0.46) BTKCNR1
SCHEMBL28565843 0.80 CNR1 (0.37) SMN1; SMN2LMNAJAK1BTKCNR1
SCHEMBL18038844 0.77 PDK4 (0.46) JAK1BTKCNR1
SCHEMBL29948559 0.77 CNR1 (0.50) SMN1; SMN2LMNAPOLBCNR1
SCHEMBL29650110 0.77 LMNA (0.47) SMN1; SMN2LMNAPOLBCNR1NPC1
SCHEMBL29684579 0.76 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBBTKOPRD1
SCHEMBL30180149 0.76 QDPR (0.37) SMN1; SMN2LMNAPOLBJAK1JAK2
SCHEMBL31329758 0.75 PTGDR2 (0.38) SMN1; SMN2LMNAPOLBJAK1JAK2

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-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed